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sync GPU_precision_validation branch with trunk r6920. 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/branches/GPU_precision_validation@6921 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Ye Luo 2016-05-18 05:14:57 +00:00
parent ceac1c4875 0d4019c9c6
commit 141df7bdd3
1067 changed files with 675814 additions and 716 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
CMake/IntelCompilers.cmake
View File

@ -6,8 +6,13 @@ ENDIF()
# Enable OpenMP
SET(ENABLE_OPENMP 1)
IF ( CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16 )
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -openmp")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -openmp")
ELSE()
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -qopenmp")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -qopenmp")
ENDIF()
# Set the std
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -std=c99")
@ -34,9 +39,12 @@ SET(ICC_DEPRECATED_OPTS FALSE)
IF ( CMAKE_CXX_COMPILER_VERSION VERSION_LESS 11.1 )
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -prefetch ")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -prefetch" )
ELSE()
ELSEIF(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16 )
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -opt-prefetch" )
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -opt-prefetch" )
ELSE()
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -qopt-prefetch" )
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -qopt-prefetch" )
ENDIF()
#check if -ftz is accepted

21
CMake/ctest_script.cmake
View File

@ -9,7 +9,6 @@ SITE_NAME( HOSTNAME )
IF( ${HOSTNAME} STREQUAL "mbt01" )
SET( CC mpicc )
SET( CXX mpicxx )
SET( MPIEXEC mpirun )
SET( CTEST_CMAKE_GENERATOR "Unix Makefiles")
SET( QMC_DATA /projects/QMCPACK/qmc-data )
SET( ENV{HDF5_ROOT} /packages/TPLs/install/debug/hdf5 )
@ -51,6 +50,22 @@ ELSEIF( ${HOSTNAME} MATCHES "cetus" )
SET( CTEST_CMAKE_GENERATOR "Unix Makefiles")
SET( CTEST_SITE "cetus.alcf.anl.gov" )
SET( N_PROCS 16)
ELSEIF( ${HOSTNAME} MATCHES "billmp1" )
# Setup for billmp1.ornl.gov Mac
SET( CC /opt/mpich/install/mpich-3.2/bin/mpicc )
SET( CXX /opt/mpich/install/mpich-3.2/bin/mpic++ )
SET( MPIEXEC /opt/mpich/install/mpich-3.2/bin/mpirun )
SET( ENV{HDF5_ROOT} /opt/TPLs/install/opt/hdf5 )
SET( ENV{BOOST_ROOT} /opt/TPLs/install/opt/boost )
SET( QMC_OPTIONS "${QMC_OPTIONS};-DMPIEXEC=${MPIEXEC}" )
SET( CTEST_CMAKE_GENERATOR "Unix Makefiles")
SET( CTEST_SITE "billmp1.ornl.gov" )
SET( N_PROCS 8)
IF( ${CTEST_SCRIPT_ARG} STREQUAL "debug" )
SET( CTEST_BUILD_NAME Clang-Debug-Mac )
ELSE()
SET( CTEST_BUILD_NAME Clang-Release-Mac )
ENDIF()
ELSE()
MESSAGE( FATAL_ERROR "Unknown host: ${HOSTNAME}" )
ENDIF()
@ -66,7 +81,9 @@ ENDIF()
# Check that we specified the build type to run
SET( USE_MATLAB 1 )
SET( CTEST_BUILD_NAME "$ENV{QMCPACK_TEST_SUBMIT_NAME}" )
IF ( NOT CTEST_BUILD_NAME )
SET( CTEST_BUILD_NAME "$ENV{QMCPACK_TEST_SUBMIT_NAME}" )
ENDIF()
IF ( NOT CTEST_BUILD_NAME )
SET( CTEST_BUILD_NAME "QMCPACK_TEST_SUBMIT_NAME-unset" )
ENDIF()

1
CMake/macros.cmake
View File

@ -16,7 +16,6 @@ MACRO( ADD_QMC_EXE_DEP EXE )
FOREACH(l ${QMC_UTIL_LIBS})
TARGET_LINK_LIBRARIES(${EXE} ${l})
ENDFOREACH(l ${QMC_UTIL_LIBS})
TARGET_LINK_LIBRARIES(${EXE} ${LAPACK_LIBRARY} ${BLAS_LIBRARY} ${FORTRAN_LIBRARIES})
IF(ENABLE_TAU_PROFILE)
TARGET_LINK_LIBRARIES(${EXE} tau)
ENDIF(ENABLE_TAU_PROFILE)

62
CMakeLists.txt
View File

@ -424,7 +424,7 @@ ELSE(CMAKE_TOOLCHAIN_FILE)
IF(LAPACK_FOUND)
MESSAGE(STATUS "LAPACK libraries: ${LAPACK_LIBRARIES}")
MESSAGE(STATUS "LAPACK linker flags: ${LAPACK_LINKER_FLAGS}")
link_libraries(${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
SET(LAPACK_LIBRARY ${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
ENDIF()
@ -463,8 +463,29 @@ INCLUDE(${CMAKE_ROOT}/Modules/FindThreads.cmake)
# use customized cmake file for boost so that we can deal with multiple
# installataions
# list of libraries to be linked with the main applications using I/O
SET(QMC_UTIL_LIBS )
SET(QMC_UTIL_LIBS ${LAPACK_LIBRARY} ${BLAS_LIBRARY})
SET( FFTW_FOUND 0 )
IF ( HAVE_MKL )
IF ( HAVE_MKL_FFTW3 )
SET( FFTW_FOUND 1 )
ENDIF()
ENDIF()
IF ( NOT FFTW_FOUND )
find_package(FFTW)
ENDIF()
IF(FFTW_FOUND)
SET(HAVE_LIBFFTW 1)
INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
MESSAGE(STATUS "Found FFTW")
ELSE(FFTW_FOUND)
MESSAGE(STATUS "Disabling FFTW")
ENDIF(FFTW_FOUND)
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FORTRAN_LIBRARIES})
find_package(ZLIB)
find_package(LibXml2)
@ -591,37 +612,10 @@ ENDIF(QMC_CUDA)
# endif(ENABLE_OPENMP)
#ENDIF(FOUND_TAU)
###############################################################
# for specific linker in the case of profiling like hpctoolkit.
###############################################################
if(CMAKE_CXX_LINKER)
set(CMAKE_CXX_LINK_EXECUTABLE
"${CMAKE_CXX_LINKER} <FLAGS> <CMAKE_CXX_LINK_FLAGS> <LINK_FLAGS> <OBJECTS> -o <TARGET> <LINK_LIBRARIES>")
MESSAGE(STATUS "Linker is specified as '${CMAKE_CXX_LINKER}' instead of '${CMAKE_CXX_COMPILER}'")
endif()
######################################################
# Add optional macros
######################################################
SET( FFTW_FOUND 0 )
IF ( HAVE_MKL )
IF ( HAVE_MKL_FFTW3 )
SET( FFTW_FOUND 1 )
ENDIF()
ENDIF()
IF ( NOT FFTW_FOUND )
find_package(FFTW)
ENDIF()
IF(FFTW_FOUND)
SET(HAVE_LIBFFTW 1)
INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
MESSAGE(STATUS "Found FFTW")
ELSE(FFTW_FOUND)
MESSAGE(STATUS "Disabling FFTW")
ENDIF(FFTW_FOUND)
#include qmcpack/src build/src
INCLUDE_DIRECTORIES( ${PROJECT_SOURCE_DIR}/src ${PROJECT_BINARY_DIR}/src)
@ -647,7 +641,7 @@ set(build_einspline 1)
if(build_einspline)
SUBDIRS(src/einspline)
INCLUDE_DIRECTORIES(${PROJECT_BINARY_DIR}/include)
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} einspline)
SET(QMC_UTIL_LIBS einspline ${QMC_UTIL_LIBS})
endif()
#include(ExternalProject)
@ -685,6 +679,14 @@ endif()
# ENDIF(GTKMM_FOUND)
#ENDIF(ENABLE_GTK_GUI)
###############################################################
# for specific linker in the case of profiling like hpctoolkit.
###############################################################
if(CMAKE_CXX_LINKER)
set(CMAKE_CXX_LINK_EXECUTABLE
"${CMAKE_CXX_LINKER} <FLAGS> <CMAKE_CXX_LINK_FLAGS> <LINK_FLAGS> <OBJECTS> -o <TARGET> <LINK_LIBRARIES>")
MESSAGE(STATUS "Linker is specified as '${CMAKE_CXX_LINKER}' instead of '${CMAKE_CXX_COMPILER}'")
endif()
###################################################
# Add user extra flags

10
config/BGQToolChain.cmake
View File

@ -30,7 +30,7 @@ SET(MPIEXEC_NUMPROC_FLAG "${qmcpack_SOURCE_DIR}/utils/bgrunjobhelper.sh")
SET(BOOST_ROOT /home/projects/qmcpack/boost_1_45_0)
SET(CMAKE_FIND_ROOT_PATH
/home/projects/qmcpack/LIBXML2-2.9
/home/projects/qmcpack/libXML2-2.9.1
/soft/libraries/hdf5/current/cnk-xl/current
/soft/libraries/alcf/current/xl/FFTW3
/soft/libraries/alcf/current/xl/ZLIB
@ -39,18 +39,18 @@ SET(CMAKE_FIND_ROOT_PATH
SET(LAPACK_LIBRARY /soft/libraries/alcf/current/xl/LAPACK/lib/liblapack.a)
SET(BLAS_LIBRARY /soft/libraries/essl/current/essl/5.1/lib64/libesslsmpbg.a)
SET(FORTRAN_LIBRARIES
$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmass.a
$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmassv.a
$ENV{IBM_FCMP_DIR}/bglib64/libxlf90_r.a
$ENV{IBM_FCMP_DIR}/bglib64/libxlopt.a
)
LINK_LIBRARIES(
$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmass.a
$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmassv.a
#LINK_LIBRARIES(
#/soft/perftools/hpctw/libmpihpm_smp.a
#/bgsys/drivers/ppcfloor/bgpm/lib/libbgpm.a
#/bgsys/drivers/ppcfloor/spi/lib/libSPI_upci_cnk.a
#-pg
)
#)
FOREACH(type SHARED_LIBRARY SHARED_MODULE EXE)
SET(CMAKE_${type}_LINK_STATIC_C_FLAGS "-Wl,-Bstatic")

14
config/build_titan.sh
View File

@ -8,7 +8,7 @@
## ./config/build_titan.sh ##
## ##
## (c) Scientific Computing Group, NCCS, ORNL. ##
## Last modified: Jan 28, 2016 ##
## Last modified: Mar 21, 2016 ##
################################################################
@ -27,7 +27,7 @@ module load cray-hdf5
module load fftw
module load boost
module load subversion
module load cmake3
module load cmake
# Set environment variables
@ -35,7 +35,9 @@ export FFTW_HOME=$FFTW_DIR/..
# Set cmake variables, shared for cpu builds
CMAKE_FLAGS="-D QMC_INCLUDE=/sw/xk7/amdlibm/include \
CMAKE_FLAGS="-DCMAKE_C_COMPILER=cc \
-DCMAKE_CXX_COMPILER=CC \
-D QMC_INCLUDE=/sw/xk7/amdlibm/include \
-D QMC_EXTRA_LIBS=/sw/xk7/amdlibm/lib/static/libamdlibm.a"
@ -67,13 +69,17 @@ ln -s ./build_cpu_comp/bin/qmcpack ./qmcpack_cpu_comp
module load cudatoolkit
# Set cmake variables, shared for gpu builds
CMAKE_FLAGS="-DCMAKE_C_COMPILER=cc \
-DCMAKE_CXX_COMPILER=CC"
# Configure and build gpu real
echo ""
echo ""
echo "building qmcpack for gpu real"
mkdir build_gpu_real
cd build_gpu_real
cmake -DQMC_CUDA=1 ..
cmake -DQMC_CUDA=1 $CMAKE_FLAGS ..
make -j 32
cd ..
ln -s ./build_gpu_real/bin/qmcpack ./qmcpack_gpu_real

397
labs/lab1_qmc_statistics/atom/H.output Normal file
View File

@ -0,0 +1,397 @@
Input file(s): H.xml
=====================================================
QMCPACK 1.0.0
(c) Copyright 2003- QMCPACK developers
Subversion branch 6312
Last modified 2014-05-19 15:22:38 +0000 (Mon, 19 May 2014)
=====================================================
Global options
async_swap=0 : using blocking send/recv for walker swaps
MPI Nodes = 32
MPI Nodes per group = 32
MPI Group ID = 0
OMP_NUM_THREADS = 4
Input XML = H.xml
Project = H
date = 2014-06-25 19:43:25 UTC
host = Q02-I0-J07.vesta.itd
user = wparker
DO NOT READ DENSITY
Offset for the random number seeds based on time 605
Random number offset = 605 seeds = 4463-5569
ParticleSetPool::put
Creating e particleset
XMLParticleParser::putSpecial
All the species have the same mass 1
Particles are grouped. Safe to use groups
e
ParticleSetPool::put
Creating ion0 particleset
XMLParticleParser::putSpecial
All the species have the same mass 1
Particles are grouped. Safe to use groups
ion0
Adding WavefunctionFactory for psi0
WaveFunctionFactory::build
WaveFunctionFactory::addFermionTerm
SlaterDetBuilder::put(xmlNodePtr)
BasisSetFactory::createBasisSet
Using MolecularBasisBuilder<NGOBuilder>
MolecularBasisBuilder::put(xmlNodePtr)
<input node="basisset" name="LCAOBSet"/>
Distance table for AA: source/target = e
PBC=open Orthorhombic=NA
using Cartesian coordinates with
... ParticleSet::addTable Create Table #0 e_e
Distance table for AB: source = ion0 target = e
PBC=open Orthorhombic=NA
using Cartesian coordinates
... ParticleSet::addTable Create Table #1 ion0_e
AtomicBasisBuilder::put(xmlNodePtr)
<input node="atomicBasisSet" name="STO-2G" angular="cartesian" type="Gaussian" elementType="H" normalized="no"/>
AtomicBasisBuilder::createAOSet(xmlNodePtr)
AO BasisSet for H
Angular momentum expanded in cartesian functions x^lx y^ly z^lz according to Gamess
Using log grid with default values: ri = 1e-06 rf = 100 npts = 1001
R(n,l,m,s) 0 0 0 0
Expanding Ylm (angular function) according to Gamess using cartesian gaussians
Gaussian exponent = 1.30976
contraction=0.430128 nomralized contraction = 1.33047
Gaussian exponent = 0.233136
contraction=0.678914 nomralized contraction = 0.575488
Adding 1 cartesian gaussian orbitals for l= 0
Maximu Angular Momentum = 0
Number of Radial functors = 1
Basis size = 1
Built BasisSetBuilder "LCAOBSet" of type molecularorbital
BasisSetFactory::createBasisSet
Reuse BasisSetBuilder "LCAOBSet" type MolecularOrbital
Building SPOset with basis set.
MolecularBasisBuilder::createSPO(xmlNodePtr)
Creating LCOrbitalSet with the Identity coefficient
Using Identity for the LCOrbitalSet
SlaterDetBuilder::putDeterminant(xmlNodePtr,int)
Creating a determinant updet group=0 sposet=updet
Reusing a SPO set updet
FermionWF=SlaterDet
HamiltonianPool::put
QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
CoulombAA for e is not created. Number of particles == 1 and nonPeriodic
... ParticleSet::addTable Reuse Table #1 ion0_e
QMCHamiltonian::addOperator Coulomb to H, physical Hamiltonian
CoulombAA for ion0 is not created. Number of particles == 1 and nonPeriodic
QMCHamiltonian::add2WalkerProperty added
2 to P::PropertyList
0 to P::Collectables
starting Index of the observables in P::PropertyList = 9
Hamiltonian disables VirtualMoves
ParticleSetPool::randomize
=========================================================
Summary of QMC systems
=========================================================
ParticleSetPool has:
ParticleSet e : 0 1
1
u -5.0000000000e-01 5.0000000000e-01 -5.0000000000e-01
ParticleSet ion0 : 0 1
1
H 0.0000000000e+00 0.0000000000e+00 0.0000000000e+00
Hamiltonian h0
Kinetic Kinetic energy
Coulomb CoulombAB source=ion0
=========================================================
Start VMCSingleOMP
File Root H.s000 append = no
=========================================================
Adding 4 walkers to 0 existing sets
Total number of walkers: 1.2800000000e+02
Total weight: 1.2800000000e+02
Resetting Properties of the walkers 1 x 11
<vmc function="put">
qmc_counter=0 my_counter=0
time step = 5.0000000000e-02
blocks = 500
steps = 100
substeps = 1
current = 0
target samples = 1.6000000000e+03
walkers/mpi = 4
stepsbetweensamples = 3846
<parameter name="blocks" condition="int">500</parameter>
<parameter name="check_properties" condition="int">100</parameter>
<parameter name="checkproperties" condition="int">100</parameter>
<parameter name="current" condition="int">0</parameter>
<parameter name="dmcwalkersperthread" condition="real">1.3000000000e+01</parameter>
<parameter name="maxcpusecs" condition="real">3.6000000000e+05</parameter>
<parameter name="record_configs" condition="int">0</parameter>
<parameter name="record_walkers" condition="int">3846</parameter>
<parameter name="recordconfigs" condition="int">0</parameter>
<parameter name="recordwalkers" condition="int">3846</parameter>
<parameter name="rewind" condition="int">0</parameter>
<parameter name="samples" condition="real">1.6000000000e+03</parameter>
<parameter name="samplesperthread" condition="real">1.3000000000e+01</parameter>
<parameter name="steps" condition="int">100</parameter>
<parameter name="stepsbetweensamples" condition="int">3846</parameter>
<parameter name="store_configs" condition="int">0</parameter>
<parameter name="storeconfigs" condition="int">0</parameter>
<parameter name="sub_steps" condition="int">1</parameter>
<parameter name="substeps" condition="int">1</parameter>
<parameter name="tau" condition="au">5.0000000000e-02</parameter>
<parameter name="time_step" condition="au">5.0000000000e-02</parameter>
<parameter name="timestep" condition="au">5.0000000000e-02</parameter>
<parameter name="use_drift" condition="string">yes</parameter>
<parameter name="usedrift" condition="string">yes</parameter>
<parameter name="walkers" condition="int">4</parameter>
<parameter name="warmup_steps" condition="int">100</parameter>
<parameter name="warmupsteps" condition="int">100</parameter>
DumpConfig==false Nothing (configurations, state) will be saved.
Walker Samples are dumped every 3846 steps.
</vmc>
TraceManager::put() 1
traces requested : 0
method allows traces : 1
traces available : 0
Adding a default LocalEnergyEstimator for the MainEstimator
CloneManager::makeClones makes 4 clones for W/Psi/H.
Cloning methods for both Psi and H are used
Initial partition of walkers 0 1 2 3 4
PbyP moves with drift, using VMCUpdatePbyPWithDriftFast
Total Sample Size =1664
Walker distribution on root = 0 1 2 3 4
Anonymous Buffer size per walker 17
MEMORY increase 0 MB VMCSingleOMP::resetRun
====================================================
SimpleFixedNodeBranch::finalize after a VMC block
QMC counter = 0
time step = 0.05
reference energy = -0.431827
reference variance = 0.555697
====================================================
QMC Execution time = 1.3405175831e+01 secs
Total Execution time = 1.3476763781e+01 secs
=========================================================
A new xml input file : H.s000.cont.xml
Fri Jun 27 13:38:17 UTC 2014
Input file(s): H.xml
=====================================================
QMCPACK 1.0.0
(c) Copyright 2003- QMCPACK developers
Subversion branch 6312
Last modified 2014-05-19 15:22:38 +0000 (Mon, 19 May 2014)
=====================================================
Global options
async_swap=0 : using blocking send/recv for walker swaps
MPI Nodes = 32
MPI Nodes per group = 32
MPI Group ID = 0
OMP_NUM_THREADS = 4
Input XML = H.xml
Project = H
date = 2014-06-27 13:38:25 UTC
host = Q02-I7-J06.vesta.itd
user = wparker
DO NOT READ DENSITY
Offset for the random number seeds based on time 977
Random number offset = 977 seeds = 7717-8887
ParticleSetPool::put
Creating e particleset
XMLParticleParser::putSpecial
All the species have the same mass 1
Particles are grouped. Safe to use groups
e
ParticleSetPool::put
Creating ion0 particleset
XMLParticleParser::putSpecial
All the species have the same mass 1
Particles are grouped. Safe to use groups
ion0
Adding WavefunctionFactory for psi0
WaveFunctionFactory::build
WaveFunctionFactory::addFermionTerm
SlaterDetBuilder::put(xmlNodePtr)
BasisSetFactory::createBasisSet
Using MolecularBasisBuilder<NGOBuilder>
MolecularBasisBuilder::put(xmlNodePtr)
<input node="basisset" name="LCAOBSet"/>
Distance table for AA: source/target = e
PBC=open Orthorhombic=NA
using Cartesian coordinates with
... ParticleSet::addTable Create Table #0 e_e
Distance table for AB: source = ion0 target = e
PBC=open Orthorhombic=NA
using Cartesian coordinates
... ParticleSet::addTable Create Table #1 ion0_e
AtomicBasisBuilder::put(xmlNodePtr)
<input node="atomicBasisSet" name="STO-2G" angular="cartesian" type="Gaussian" elementType="H" normalized="no"/>
AtomicBasisBuilder::createAOSet(xmlNodePtr)
AO BasisSet for H
Angular momentum expanded in cartesian functions x^lx y^ly z^lz according to Gamess
Using log grid with default values: ri = 1e-06 rf = 100 npts = 1001
R(n,l,m,s) 0 0 0 0
Expanding Ylm (angular function) according to Gamess using cartesian gaussians
Gaussian exponent = 1.30976
contraction=0.430128 nomralized contraction = 1.33047
Gaussian exponent = 0.233136
contraction=0.678914 nomralized contraction = 0.575488
Adding 1 cartesian gaussian orbitals for l= 0
Maximu Angular Momentum = 0
Number of Radial functors = 1
Basis size = 1
Built BasisSetBuilder "LCAOBSet" of type molecularorbital
BasisSetFactory::createBasisSet
Reuse BasisSetBuilder "LCAOBSet" type MolecularOrbital
Building SPOset with basis set.
MolecularBasisBuilder::createSPO(xmlNodePtr)
Creating LCOrbitalSet with the Identity coefficient
Using Identity for the LCOrbitalSet
SlaterDetBuilder::putDeterminant(xmlNodePtr,int)
Creating a determinant updet group=0 sposet=updet
Reusing a SPO set updet
FermionWF=SlaterDet
HamiltonianPool::put
QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
CoulombAA for e is not created. Number of particles == 1 and nonPeriodic
... ParticleSet::addTable Reuse Table #1 ion0_e
QMCHamiltonian::addOperator Coulomb to H, physical Hamiltonian
CoulombAA for ion0 is not created. Number of particles == 1 and nonPeriodic
QMCHamiltonian::add2WalkerProperty added
2 to P::PropertyList
0 to P::Collectables
starting Index of the observables in P::PropertyList = 9
Hamiltonian disables VirtualMoves
ParticleSetPool::randomize
=========================================================
Summary of QMC systems
=========================================================
ParticleSetPool has:
ParticleSet e : 0 1
1
u -5.0000000000e-01 5.0000000000e-01 -5.0000000000e-01
ParticleSet ion0 : 0 1
1
H 0.0000000000e+00 0.0000000000e+00 0.0000000000e+00
Hamiltonian h0
Kinetic Kinetic energy
Coulomb CoulombAB source=ion0
=========================================================
Start VMCSingleOMP
File Root H.s000 append = no
=========================================================
Adding 4 walkers to 0 existing sets
Total number of walkers: 1.2800000000e+02
Total weight: 1.2800000000e+02
Resetting Properties of the walkers 1 x 11
<vmc function="put">
qmc_counter=0 my_counter=0
time step = 5.0000000000e-02
blocks = 500
steps = 100
substeps = 1
current = 0
target samples = 1.6000000000e+03
walkers/mpi = 4
stepsbetweensamples = 3846
<parameter name="blocks" condition="int">500</parameter>
<parameter name="check_properties" condition="int">100</parameter>
<parameter name="checkproperties" condition="int">100</parameter>
<parameter name="current" condition="int">0</parameter>
<parameter name="dmcwalkersperthread" condition="real">1.3000000000e+01</parameter>
<parameter name="maxcpusecs" condition="real">3.6000000000e+05</parameter>
<parameter name="record_configs" condition="int">0</parameter>
<parameter name="record_walkers" condition="int">3846</parameter>
<parameter name="recordconfigs" condition="int">0</parameter>
<parameter name="recordwalkers" condition="int">3846</parameter>
<parameter name="rewind" condition="int">0</parameter>
<parameter name="samples" condition="real">1.6000000000e+03</parameter>
<parameter name="samplesperthread" condition="real">1.3000000000e+01</parameter>
<parameter name="steps" condition="int">100</parameter>
<parameter name="stepsbetweensamples" condition="int">3846</parameter>
<parameter name="store_configs" condition="int">0</parameter>
<parameter name="storeconfigs" condition="int">0</parameter>
<parameter name="sub_steps" condition="int">1</parameter>
<parameter name="substeps" condition="int">1</parameter>
<parameter name="tau" condition="au">5.0000000000e-02</parameter>
<parameter name="time_step" condition="au">5.0000000000e-02</parameter>
<parameter name="timestep" condition="au">5.0000000000e-02</parameter>
<parameter name="use_drift" condition="string">yes</parameter>
<parameter name="usedrift" condition="string">yes</parameter>
<parameter name="walkers" condition="int">4</parameter>
<parameter name="warmup_steps" condition="int">100</parameter>
<parameter name="warmupsteps" condition="int">100</parameter>
DumpConfig==false Nothing (configurations, state) will be saved.
Walker Samples are dumped every 3846 steps.
</vmc>
TraceManager::put() 1
traces requested : 0
method allows traces : 1
traces available : 0
Adding a default LocalEnergyEstimator for the MainEstimator
CloneManager::makeClones makes 4 clones for W/Psi/H.
Cloning methods for both Psi and H are used
Initial partition of walkers 0 1 2 3 4
PbyP moves with drift, using VMCUpdatePbyPWithDriftFast
Total Sample Size =1664
Walker distribution on root = 0 1 2 3 4
Anonymous Buffer size per walker 17
MEMORY increase 0 MB VMCSingleOMP::resetRun
====================================================
SimpleFixedNodeBranch::finalize after a VMC block
QMC counter = 0
time step = 0.05
reference energy = -0.575529
reference variance = 0.78566
====================================================
QMC Execution time = 1.3250650895e+01 secs
Total Execution time = 1.3315375550e+01 secs
=========================================================
A new xml input file : H.s000.cont.xml

501
labs/lab1_qmc_statistics/atom/H.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5298911858e-01 6.0984565298e-01 -1.1708693521e+00 7.1788023352e-01 -1.1708693521e+00 1.2800000000e+04 6.0178991748e-03 9.8515625000e-01
1 -4.5481953564e-01 6.1641291630e-01 -1.1863425644e+00 7.3152302871e-01 -1.1863425644e+00 1.2800000000e+04 5.8323097461e-03 9.8562500000e-01
2 -4.8066105923e-01 1.3586015116e+00 -1.1766446209e+00 6.9598356165e-01 -1.1766446209e+00 1.2800000000e+04 5.8213412744e-03 9.8531250000e-01
3 -4.7316713469e-01 7.8720769003e-01 -1.1799481122e+00 7.0678097751e-01 -1.1799481122e+00 1.2800000000e+04 5.8330412549e-03 9.8828125000e-01
4 -4.6204733302e-01 5.6393677687e-01 -1.1619244081e+00 6.9987707508e-01 -1.1619244081e+00 1.2800000000e+04 5.8108362256e-03 9.8625000000e-01
5 -4.4313854290e-01 6.0831516179e-01 -1.2064503041e+00 7.6331176120e-01 -1.2064503041e+00 1.2800000000e+04 5.8254170264e-03 9.8625000000e-01
6 -4.5064926960e-01 5.9891422196e-01 -1.1521370176e+00 7.0148774798e-01 -1.1521370176e+00 1.2800000000e+04 5.8314813086e-03 9.8679687500e-01
7 -4.5687452611e-01 5.8139614676e-01 -1.1423627617e+00 6.8548823555e-01 -1.1423627617e+00 1.2800000000e+04 5.8258469971e-03 9.8726562500e-01
8 -4.5018503739e-01 8.4147849706e-01 -1.1842075439e+00 7.3402250655e-01 -1.1842075439e+00 1.2800000000e+04 5.8158433545e-03 9.8468750000e-01
9 -4.3862013841e-01 5.5477715836e-01 -1.2080979177e+00 7.6947777925e-01 -1.2080979177e+00 1.2800000000e+04 5.7959401123e-03 9.8539062500e-01
10 -4.5791153007e-01 6.0138927970e-01 -1.1353088208e+00 6.7739729068e-01 -1.1353088208e+00 1.2800000000e+04 5.8204662207e-03 9.8562500000e-01
11 -4.6353069662e-01 8.1222513185e-01 -1.1816447482e+00 7.1811405154e-01 -1.1816447482e+00 1.2800000000e+04 5.8378427930e-03 9.8664062500e-01
12 -4.5865881127e-01 7.0268353090e-01 -1.1601220665e+00 7.0146325525e-01 -1.1601220665e+00 1.2800000000e+04 5.8299140234e-03 9.8656250000e-01
13 -4.3846302063e-01 7.4457683787e-01 -1.2563266080e+00 8.1786358741e-01 -1.2563266080e+00 1.2800000000e+04 5.8239151855e-03 9.8632812500e-01
14 -4.5068572293e-01 6.0226458066e-01 -1.1888498591e+00 7.3816413622e-01 -1.1888498591e+00 1.2800000000e+04 5.8064188281e-03 9.8539062500e-01
15 -4.3816209316e-01 5.6515677610e-01 -1.1499660387e+00 7.1180394558e-01 -1.1499660387e+00 1.2800000000e+04 5.8297365283e-03 9.8617187500e-01
16 -4.7241181255e-01 7.0149650305e-01 -1.1523315578e+00 6.7991974526e-01 -1.1523315578e+00 1.2800000000e+04 5.8177384424e-03 9.8531250000e-01
17 -4.5302636441e-01 5.5508361049e-01 -1.1426585165e+00 6.8963215208e-01 -1.1426585165e+00 1.2800000000e+04 5.8202933984e-03 9.8460937500e-01
18 -4.5782213514e-01 7.6487410290e-01 -1.2030357453e+00 7.4521361013e-01 -1.2030357453e+00 1.2800000000e+04 5.8206455615e-03 9.8515625000e-01
19 -4.6635037994e-01 1.8182574986e+00 -1.1761497455e+00 7.0979936558e-01 -1.1761497455e+00 1.2800000000e+04 5.8067459180e-03 9.8640625000e-01
20 -4.5841707138e-01 7.0825060159e-01 -1.2012275308e+00 7.4281045937e-01 -1.2012275308e+00 1.2800000000e+04 5.8285895361e-03 9.8656250000e-01
21 -4.5936382993e-01 6.8521807935e-01 -1.2017023426e+00 7.4233851270e-01 -1.2017023426e+00 1.2800000000e+04 5.8254068115e-03 9.8570312500e-01
22 -4.4023825329e-01 5.9781382546e-01 -1.2094503406e+00 7.6921208728e-01 -1.2094503406e+00 1.2800000000e+04 5.8299661035e-03 9.8710937500e-01
23 -4.5411428000e-01 4.9904220387e-01 -1.1350953586e+00 6.8098107860e-01 -1.1350953586e+00 1.2800000000e+04 5.8216890771e-03 9.8523437500e-01
24 -4.6486624346e-01 5.3761062470e-01 -1.1095842543e+00 6.4471801080e-01 -1.1095842543e+00 1.2800000000e+04 5.8031559424e-03 9.8515625000e-01
25 -4.7241133810e-01 8.8318132383e-01 -1.1308262390e+00 6.5841490091e-01 -1.1308262390e+00 1.2800000000e+04 5.8297327051e-03 9.8742187500e-01
26 -4.4991722330e-01 5.6895644492e-01 -1.1752933473e+00 7.2537612402e-01 -1.1752933473e+00 1.2800000000e+04 5.8226168506e-03 9.8500000000e-01
27 -4.4945662185e-01 6.1905943993e-01 -1.2082753720e+00 7.5881875015e-01 -1.2082753720e+00 1.2800000000e+04 5.8155699219e-03 9.8460937500e-01
28 -4.6614869027e-01 6.0342362639e-01 -1.1434005663e+00 6.7725187603e-01 -1.1434005663e+00 1.2800000000e+04 5.8298731104e-03 9.8773437500e-01
29 -4.4867885627e-01 6.6371999377e-01 -1.2089249899e+00 7.6024613359e-01 -1.2089249899e+00 1.2800000000e+04 5.8037394629e-03 9.8507812500e-01
30 -4.4291741659e-01 5.3073214410e-01 -1.1422381468e+00 6.9932073019e-01 -1.1422381468e+00 1.2800000000e+04 5.8237565967e-03 9.8523437500e-01
31 -4.5449746238e-01 6.2979144413e-01 -1.1714666786e+00 7.1696921626e-01 -1.1714666786e+00 1.2800000000e+04 5.8192064648e-03 9.8515625000e-01
32 -4.3343907379e-01 7.6529204960e-01 -1.2456427731e+00 8.1220369933e-01 -1.2456427731e+00 1.2800000000e+04 5.8202614502e-03 9.8492187500e-01
33 -4.5985057097e-01 7.3241162762e-01 -1.2082122116e+00 7.4836164066e-01 -1.2082122116e+00 1.2800000000e+04 5.8222529736e-03 9.8546875000e-01
34 -4.3731889909e-01 6.4833175066e-01 -1.2370337614e+00 7.9971486227e-01 -1.2370337614e+00 1.2800000000e+04 5.7991912793e-03 9.8500000000e-01
35 -4.5292956793e-01 6.1069023349e-01 -1.1986175002e+00 7.4568793225e-01 -1.1986175002e+00 1.2800000000e+04 5.8230514551e-03 9.8601562500e-01
36 -4.4224439493e-01 5.7917240857e-01 -1.2152456480e+00 7.7300125308e-01 -1.2152456480e+00 1.2800000000e+04 5.8231168018e-03 9.8492187500e-01
37 -4.4854262775e-01 1.1827814051e+00 -1.2481932899e+00 7.9965066217e-01 -1.2481932899e+00 1.2800000000e+04 5.8055787256e-03 9.8398437500e-01
38 -4.4764457353e-01 8.1777756835e-01 -1.2155369633e+00 7.6789238977e-01 -1.2155369633e+00 1.2800000000e+04 5.8248659131e-03 9.8539062500e-01
39 -4.4367111180e-01 5.9267276173e-01 -1.1987501403e+00 7.5507902849e-01 -1.1987501403e+00 1.2800000000e+04 5.8151526953e-03 9.8718750000e-01
40 -4.4852416059e-01 1.0045683418e+00 -1.2252346138e+00 7.7671045324e-01 -1.2252346138e+00 1.2800000000e+04 5.8109475195e-03 9.8429687500e-01
41 -4.6536565553e-01 6.7559289622e-01 -1.1342703946e+00 6.6890473905e-01 -1.1342703946e+00 1.2800000000e+04 5.8242986426e-03 9.8601562500e-01
42 -4.5273190951e-01 6.7489964112e-01 -1.1767191084e+00 7.2398719887e-01 -1.1767191084e+00 1.2800000000e+04 5.8190227832e-03 9.8593750000e-01
43 -4.7536628008e-01 6.9604373967e-01 -1.1820899991e+00 7.0672371900e-01 -1.1820899991e+00 1.2800000000e+04 5.8180969580e-03 9.8546875000e-01
44 -4.5751944533e-01 5.7001973592e-01 -1.1529291157e+00 6.9540967037e-01 -1.1529291157e+00 1.2800000000e+04 5.8011887646e-03 9.8492187500e-01
45 -4.5033403771e-01 6.4383429061e-01 -1.1794423778e+00 7.2910834013e-01 -1.1794423778e+00 1.2800000000e+04 5.8091233936e-03 9.8382812500e-01
46 -4.3738242134e-01 5.8546982333e-01 -1.1739276226e+00 7.3654520129e-01 -1.1739276226e+00 1.2800000000e+04 5.8290078320e-03 9.8617187500e-01
47 -4.5047930205e-01 8.5132233253e-01 -1.2306571410e+00 7.8017783899e-01 -1.2306571410e+00 1.2800000000e+04 5.8086470459e-03 9.8382812500e-01
48 -4.5710310580e-01 9.1473941337e-01 -1.2039534771e+00 7.4685037132e-01 -1.2039534771e+00 1.2800000000e+04 5.8189869775e-03 9.8531250000e-01
49 -4.7077542229e-01 7.2616424508e-01 -1.1689419608e+00 6.9816653847e-01 -1.1689419608e+00 1.2800000000e+04 5.7985573145e-03 9.8476562500e-01
50 -4.3444379365e-01 9.2622294522e-01 -1.2285500235e+00 7.9410622987e-01 -1.2285500235e+00 1.2800000000e+04 5.8146321631e-03 9.8476562500e-01
51 -4.4067397751e-01 6.4154298100e-01 -1.2183027374e+00 7.7762875987e-01 -1.2183027374e+00 1.2800000000e+04 5.8360484863e-03 9.8617187500e-01
52 -4.4665238513e-01 8.3611434026e-01 -1.1688811076e+00 7.2222872247e-01 -1.1688811076e+00 1.2800000000e+04 5.8219696240e-03 9.8546875000e-01
53 -4.7569690372e-01 5.7485072266e-01 -1.1336802295e+00 6.5798332578e-01 -1.1336802295e+00 1.2800000000e+04 5.8136960107e-03 9.8460937500e-01
54 -4.4575888268e-01 6.2502126292e-01 -1.1762234498e+00 7.3046456716e-01 -1.1762234498e+00 1.2800000000e+04 5.8100683105e-03 9.8601562500e-01
55 -4.6691662289e-01 8.3414345765e-01 -1.1668695043e+00 6.9995288138e-01 -1.1668695043e+00 1.2800000000e+04 5.8280217041e-03 9.8531250000e-01
56 -4.5031367747e-01 7.5107497864e-01 -1.1939630209e+00 7.4364934343e-01 -1.1939630209e+00 1.2800000000e+04 5.8197207520e-03 9.8539062500e-01
57 -4.6452059850e-01 8.6821851996e-01 -1.1829765193e+00 7.1845592077e-01 -1.1829765193e+00 1.2800000000e+04 5.8079761768e-03 9.8460937500e-01
58 -4.4767271594e-01 5.8644747750e-01 -1.2099656014e+00 7.6229288541e-01 -1.2099656014e+00 1.2800000000e+04 5.8358531445e-03 9.8781250000e-01
59 -4.6027468420e-01 7.0030007168e-01 -1.2120957515e+00 7.5182106732e-01 -1.2120957515e+00 1.2800000000e+04 5.7961482764e-03 9.8539062500e-01
60 -4.5673831207e-01 8.1781218023e-01 -1.2051125647e+00 7.4837425263e-01 -1.2051125647e+00 1.2800000000e+04 5.8327555420e-03 9.8656250000e-01
61 -4.4966607876e-01 6.4321192898e-01 -1.1919687525e+00 7.4230267376e-01 -1.1919687525e+00 1.2800000000e+04 5.8330302051e-03 9.8726562500e-01
62 -4.4381264093e-01 5.1427789480e-01 -1.1920517251e+00 7.4823908420e-01 -1.1920517251e+00 1.2800000000e+04 5.8265894531e-03 9.8695312500e-01
63 -4.7116005551e-01 9.5179859936e-01 -1.1866456449e+00 7.1548558943e-01 -1.1866456449e+00 1.2800000000e+04 5.8138213037e-03 9.8390625000e-01
64 -4.3604478160e-01 6.7265841791e-01 -1.2319066394e+00 7.9586185779e-01 -1.2319066394e+00 1.2800000000e+04 5.7958526221e-03 9.8335937500e-01
65 -4.6430024067e-01 7.9811925868e-01 -1.1972600907e+00 7.3295984999e-01 -1.1972600907e+00 1.2800000000e+04 5.8277762207e-03 9.8671875000e-01
66 -4.4990382140e-01 5.7168076075e-01 -1.1715267827e+00 7.2162296134e-01 -1.1715267827e+00 1.2800000000e+04 5.8262340479e-03 9.8570312500e-01
67 -4.5041706003e-01 6.8302030585e-01 -1.1937629606e+00 7.4334590056e-01 -1.1937629606e+00 1.2800000000e+04 5.8167142383e-03 9.8445312500e-01
68 -4.7065752751e-01 7.8835454838e-01 -1.1921756511e+00 7.2151812364e-01 -1.1921756511e+00 1.2800000000e+04 5.8301586133e-03 9.8671875000e-01
69 -4.5420813147e-01 6.2457112485e-01 -1.1845862306e+00 7.3037809918e-01 -1.1845862306e+00 1.2800000000e+04 5.7960914014e-03 9.8367187500e-01
70 -4.4927597068e-01 7.2133822158e-01 -1.1926062736e+00 7.4333030294e-01 -1.1926062736e+00 1.2800000000e+04 5.8199245947e-03 9.8406250000e-01
71 -4.4196974932e-01 7.6612461155e-01 -1.2572568992e+00 8.1528714984e-01 -1.2572568992e+00 1.2800000000e+04 5.8258277637e-03 9.8632812500e-01
72 -4.3235764738e-01 5.8604814918e-01 -1.2389483673e+00 8.0659071997e-01 -1.2389483673e+00 1.2800000000e+04 5.8265756201e-03 9.8640625000e-01
73 -4.5909283903e-01 7.0298861393e-01 -1.2057964906e+00 7.4670365154e-01 -1.2057964906e+00 1.2800000000e+04 5.8190598389e-03 9.8539062500e-01
74 -4.6203607429e-01 6.7619927679e-01 -1.1748977020e+00 7.1286162771e-01 -1.1748977020e+00 1.2800000000e+04 5.7976786475e-03 9.8406250000e-01
75 -4.6508146478e-01 7.9896311394e-01 -1.1988151668e+00 7.3373370198e-01 -1.1988151668e+00 1.2800000000e+04 5.8187938379e-03 9.8500000000e-01
76 -4.5336352265e-01 7.0298376991e-01 -1.2206763674e+00 7.6731284475e-01 -1.2206763674e+00 1.2800000000e+04 5.8274448437e-03 9.8609375000e-01
77 -4.5403939652e-01 5.6170299668e-01 -1.2226994888e+00 7.6866009230e-01 -1.2226994888e+00 1.2800000000e+04 5.8096897998e-03 9.8421875000e-01
78 -4.4336569196e-01 6.0330913184e-01 -1.2422340852e+00 7.9886839328e-01 -1.2422340852e+00 1.2800000000e+04 5.8083226855e-03 9.8343750000e-01
79 -4.6824646668e-01 5.5157007140e-01 -1.1508779196e+00 6.8263145288e-01 -1.1508779196e+00 1.2800000000e+04 5.8087696045e-03 9.8585937500e-01
80 -4.7475983147e-01 6.7482002864e-01 -1.1539702135e+00 6.7921038198e-01 -1.1539702135e+00 1.2800000000e+04 5.8274123438e-03 9.8546875000e-01
81 -4.5730021462e-01 6.2309978472e-01 -1.1860117287e+00 7.2871151408e-01 -1.1860117287e+00 1.2800000000e+04 5.8290644629e-03 9.8640625000e-01
82 -4.6189389360e-01 5.8598278227e-01 -1.1667367771e+00 7.0484288349e-01 -1.1667367771e+00 1.2800000000e+04 5.8139960303e-03 9.8507812500e-01
83 -4.5945754996e-01 6.2812119504e-01 -1.1635178409e+00 7.0406029093e-01 -1.1635178409e+00 1.2800000000e+04 5.8350275342e-03 9.8648437500e-01
84 -4.5421624209e-01 7.3300331160e-01 -1.2099495112e+00 7.5573326912e-01 -1.2099495112e+00 1.2800000000e+04 5.7941691260e-03 9.8390625000e-01
85 -4.4252689483e-01 5.6205595084e-01 -1.1941359145e+00 7.5160901965e-01 -1.1941359145e+00 1.2800000000e+04 5.8103799365e-03 9.8460937500e-01
86 -4.6620301075e-01 5.9069960358e-01 -1.1408155766e+00 6.7461256589e-01 -1.1408155766e+00 1.2800000000e+04 5.8219485693e-03 9.8460937500e-01
87 -4.4283730207e-01 5.9745540816e-01 -1.2048779780e+00 7.6204067598e-01 -1.2048779780e+00 1.2800000000e+04 5.8194603271e-03 9.8562500000e-01
88 -4.5047199595e-01 6.1325387052e-01 -1.1727857288e+00 7.2231373287e-01 -1.1727857288e+00 1.2800000000e+04 5.8316141992e-03 9.8617187500e-01
89 -4.5619807168e-01 9.0740129949e-01 -1.1879495889e+00 7.3175151725e-01 -1.1879495889e+00 1.2800000000e+04 5.8029809277e-03 9.8492187500e-01
90 -4.3274618470e-01 6.0852041137e-01 -1.2257518275e+00 7.9300564283e-01 -1.2257518275e+00 1.2800000000e+04 5.8223089893e-03 9.8523437500e-01
91 -4.6320916865e-01 7.3601669977e-01 -1.1731268094e+00 7.0991764070e-01 -1.1731268094e+00 1.2800000000e+04 5.8166702393e-03 9.8515625000e-01
92 -4.6897690916e-01 8.1282314992e-01 -1.2099978802e+00 7.4102097107e-01 -1.2099978802e+00 1.2800000000e+04 5.8225545752e-03 9.8578125000e-01
93 -4.6400710828e-01 8.1851627847e-01 -1.2461425901e+00 7.8213548183e-01 -1.2461425901e+00 1.2800000000e+04 5.8204316846e-03 9.8578125000e-01
94 -4.6930964625e-01 8.3981323223e-01 -1.2128446995e+00 7.4353505329e-01 -1.2128446995e+00 1.2800000000e+04 5.7945773779e-03 9.8453125000e-01
95 -4.4944322924e-01 6.5621589962e-01 -1.1884200668e+00 7.3897683753e-01 -1.1884200668e+00 1.2800000000e+04 5.8157671924e-03 9.8507812500e-01
96 -4.6294411597e-01 6.6451110084e-01 -1.1811436839e+00 7.1819956789e-01 -1.1811436839e+00 1.2800000000e+04 5.8207972168e-03 9.8468750000e-01
97 -4.6872300202e-01 7.1325539178e-01 -1.1645814300e+00 6.9585842797e-01 -1.1645814300e+00 1.2800000000e+04 5.8163171484e-03 9.8429687500e-01
98 -4.4919916880e-01 5.2309257404e-01 -1.1704629369e+00 7.2126376813e-01 -1.1704629369e+00 1.2800000000e+04 5.8150814551e-03 9.8539062500e-01
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62
labs/lab1_qmc_statistics/atom/H.xml Normal file
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@ -0,0 +1,62 @@
<?xml version="1.0"?>
<simulation>
<project id="H" series="0">
<application name="qmcapp" role="molecu" class="serial" version="0.2">
QMC of H atom
</application>
</project>
<random seed="-1"/>
<particleset name="e">
<group name="u" size="1">
<parameter name="charge">-1</parameter>
<attrib name="position" datatype="posArray">
-0.500000 0.5000000 -0.50000
</attrib>
</group>
</particleset>
<particleset name="ion0" size="1">
<group name="H">
<parameter name="charge">1</parameter>
</group>
<attrib name="position" datatype="posArray">
0.0 0.0 0.0
</attrib>
</particleset>
<wavefunction name="psi0" target="e">
<determinantset name="LCAOBSet" type="MolecularOrbital" transform="yes" source="ion0">
<basisset name="LCAOBSet">
<atomicBasisSet name="STO-2G" angular="cartesian" type="Gaussian" elementType="H" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<basisGroup rid="H00" n="0" l="0" type="Gaussian">
<radfunc exponent="1.309756377000e+00" contraction="4.301284940000e-01"/>
<radfunc exponent="2.331359740000e-01" contraction="6.789135310000e-01"/>
</basisGroup>
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
</determinant>
</slaterdeterminant>
</determinantset>
</wavefunction>
<hamiltonian name="h0" type="generic" target="e">
<pairpot name="ElecElec" type="coulomb" source="e" target="e"/>
<pairpot name="Coulomb" type="coulomb" source="ion0" target="e"/>
<constant name="IonIon" type="coulomb" source="ion0" target="ion0"/>
</hamiltonian>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.05</parameter>
</qmc>
<!--
<qmc method="dmc" move="pbyp" target="e">
<parameter name="blocks">200</parameter>
<parameter name="steps">100</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.01</parameter>
</qmc>
-->
</simulation>

16
labs/lab1_qmc_statistics/autocorrelation/H.dat Normal file
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@ -0,0 +1,16 @@
10 -0.449748 +/- 0.004359 4.5
5 -0.451563 +/- 0.002132 1.5
2 -0.454259 +/- 0.001200 1.0
1 -0.454772 +/- 0.000826 1.0
0.5 -0.454349 +/- 0.000574 1.0
0.2 -0.454373 +/- 0.000425 1.1
0.1 -0.454240 +/- 0.000446 1.2
0.05 -0.454305 +/- 0.000592 1.2
0.02 -0.455579 +/- 0.000877 1.4
0.01 -0.454768 +/- 0.001155 1.4
0.005 -0.455591 +/- 0.001820 2.6
0.002 -0.451679 +/- 0.002288 2.3
0.001 -0.456785 +/- 0.003990 4.8
0.0005 -0.459246 +/- 0.004368 4.7
0.0002 -0.460927 +/- 0.007231 10.6
0.0001 -0.476852 +/- 0.009478 13.6

34
labs/lab1_qmc_statistics/autocorrelation/H.plt Normal file
View File

@ -0,0 +1,34 @@
#set terminal png size 400,300
#set output 'timestep_vs_autocorrelation_energy_H_STO-2G.png'
TOP = 0.98
DY = 0.42
unset key
set multiplot
set xrange [0.00005:20]
set logscale x
#Total energy
set xlabel "Time step (1/hartree)"
set yrange [-0.495:-0.435]
set tmargin at screen TOP-DY
set bmargin at screen TOP-2*DY
set ytics -0.49,0.01,-0.44
set ylabel "E_total\n(hartree)"
plot "H.dat" using 1:2:4 with errorbars
#Autocorrelation
set xtics format ''
unset xlabel
set yrange [0:15]
set tmargin at screen TOP
set bmargin at screen TOP-DY
set ytics 1,2,14
set ylabel "Autocorrelation\n(1/hartree)" offset -2
plot "H.dat" using 1:5
unset multiplot
pause -1

501
labs/lab1_qmc_statistics/autocorrelation/H.s000.scalar.dat Normal file
View File

@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.7796726706e-01 4.1926719864e-01 -1.0217619241e+00 5.4379465699e-01 -1.0217619241e+00 1.2800000000e+04 3.5567637695e-03 4.8593750000e-02
1 -4.4941300533e-01 5.0982340549e-01 -1.1753569913e+00 7.2594398597e-01 -1.1753569913e+00 1.2800000000e+04 3.6121927344e-03 5.3203125000e-02
2 -3.9750760332e-01 3.8904835812e-01 -1.1343224438e+00 7.3681484051e-01 -1.1343224438e+00 1.2800000000e+04 3.5391250439e-03 4.4687500000e-02
3 -4.2353279642e-01 3.4126977181e-01 -1.0583451708e+00 6.3481237437e-01 -1.0583451708e+00 1.2800000000e+04 3.5415771484e-03 5.5078125000e-02
4 -4.4838487440e-01 3.6526374379e-01 -1.0782385624e+00 6.2985368805e-01 -1.0782385624e+00 1.2800000000e+04 3.5489645703e-03 5.2578125000e-02
5 -4.0669503969e-01 3.4459964966e-01 -1.1619194913e+00 7.5522445157e-01 -1.1619194913e+00 1.2800000000e+04 3.5441096924e-03 4.9140625000e-02
6 -4.3382023168e-01 3.4967011772e-01 -1.0990345830e+00 6.6521435133e-01 -1.0990345830e+00 1.2800000000e+04 3.5408638672e-03 4.7109375000e-02
7 -4.2195322045e-01 3.4199092054e-01 -1.1010566591e+00 6.7910343865e-01 -1.1010566591e+00 1.2800000000e+04 3.5408294922e-03 5.0234375000e-02
8 -3.8704419388e-01 3.6141941782e-01 -1.1296342507e+00 7.4259005681e-01 -1.1296342507e+00 1.2800000000e+04 3.5257859180e-03 4.3984375000e-02
9 -4.2822040691e-01 4.0736909787e-01 -1.1214874152e+00 6.9326700824e-01 -1.1214874152e+00 1.2800000000e+04 3.5449706885e-03 5.1093750000e-02
10 -4.3999864262e-01 4.1195130184e-01 -1.1459414049e+00 7.0594276224e-01 -1.1459414049e+00 1.2800000000e+04 3.5359416309e-03 4.5156250000e-02
11 -4.9747469721e-01 4.9844393404e-01 -1.0915092705e+00 5.9403457334e-01 -1.0915092705e+00 1.2800000000e+04 3.5569763916e-03 5.9218750000e-02
12 -4.6577341591e-01 4.2161227629e-01 -1.1160033085e+00 6.5022989256e-01 -1.1160033085e+00 1.2800000000e+04 3.5343166162e-03 4.3750000000e-02
13 -4.5835826586e-01 4.0661500552e-01 -1.1651647129e+00 7.0680644701e-01 -1.1651647129e+00 1.2800000000e+04 3.5397764258e-03 5.1875000000e-02
14 -4.2559297483e-01 4.3363551692e-01 -1.2216480621e+00 7.9605508729e-01 -1.2216480621e+00 1.2800000000e+04 3.5366118408e-03 4.3281250000e-02
15 -4.4397184792e-01 4.7093465221e-01 -1.2524777483e+00 8.0850590036e-01 -1.2524777483e+00 1.2800000000e+04 3.5421081689e-03 4.7343750000e-02
16 -5.0282505023e-01 6.0651781577e-01 -1.2527442447e+00 7.4991919446e-01 -1.2527442447e+00 1.2800000000e+04 3.5404589355e-03 4.9687500000e-02
17 -5.0840716201e-01 7.6912657124e-01 -1.2511304657e+00 7.4272330364e-01 -1.2511304657e+00 1.2800000000e+04 3.5339256396e-03 4.6953125000e-02
18 -5.2706739181e-01 9.6886130309e-01 -1.3014702873e+00 7.7440289548e-01 -1.3014702873e+00 1.2800000000e+04 3.5467229688e-03 5.4453125000e-02
19 -5.1906887098e-01 9.3478879617e-01 -1.2975416599e+00 7.7847278887e-01 -1.2975416599e+00 1.2800000000e+04 3.5408317773e-03 5.0390625000e-02
20 -4.9587971229e-01 6.2922481680e-01 -1.1966803377e+00 7.0080062542e-01 -1.1966803377e+00 1.2800000000e+04 3.5357740088e-03 4.8828125000e-02
21 -5.1691413889e-01 5.7643613755e-01 -1.1996937715e+00 6.8277963261e-01 -1.1996937715e+00 1.2800000000e+04 3.5344065088e-03 4.4218750000e-02
22 -4.8826906128e-01 5.2738799518e-01 -1.1855722266e+00 6.9730316531e-01 -1.1855722266e+00 1.2800000000e+04 3.5380171094e-03 4.9062500000e-02
23 -4.7632079380e-01 4.7037657533e-01 -1.1840672478e+00 7.0774645401e-01 -1.1840672478e+00 1.2800000000e+04 3.5454106641e-03 5.0312500000e-02
24 -4.3060528252e-01 4.3729088553e-01 -1.2235263129e+00 7.9292103039e-01 -1.2235263129e+00 1.2800000000e+04 3.5331236914e-03 4.2500000000e-02
25 -4.6220711389e-01 6.1448614569e-01 -1.2621996976e+00 7.9999258376e-01 -1.2621996976e+00 1.2800000000e+04 3.5353735986e-03 4.7734375000e-02
26 -5.3249079588e-01 1.0676730794e+00 -1.3272502361e+00 7.9475944019e-01 -1.3272502361e+00 1.2800000000e+04 3.5378810205e-03 4.9375000000e-02
27 -4.2678563759e-01 4.6319494138e-01 -1.1518579972e+00 7.2507235958e-01 -1.1518579972e+00 1.2800000000e+04 3.5366257129e-03 4.8515625000e-02
28 -4.3214788801e-01 4.1430952140e-01 -1.1440304256e+00 7.1188253763e-01 -1.1440304256e+00 1.2800000000e+04 3.5362504102e-03 4.6171875000e-02
29 -4.3270329554e-01 6.6000283610e-01 -1.1342742212e+00 7.0157092568e-01 -1.1342742212e+00 1.2800000000e+04 3.5391252637e-03 4.6562500000e-02
30 -4.3383601169e-01 4.0363562521e-01 -1.1077220494e+00 6.7388603769e-01 -1.1077220494e+00 1.2800000000e+04 3.5420772070e-03 4.9531250000e-02
31 -4.3906517017e-01 3.8396882588e-01 -1.0774882581e+00 6.3842308789e-01 -1.0774882581e+00 1.2800000000e+04 3.5345894092e-03 4.9453125000e-02
32 -4.2640305899e-01 3.5055128583e-01 -1.0996835456e+00 6.7328048661e-01 -1.0996835456e+00 1.2800000000e+04 3.5426789160e-03 4.8750000000e-02
33 -4.7330545128e-01 4.0199307963e-01 -1.1143955113e+00 6.4109006003e-01 -1.1143955113e+00 1.2800000000e+04 3.5467266602e-03 5.3203125000e-02
34 -4.6854651660e-01 4.0946895046e-01 -1.1229461820e+00 6.5439966539e-01 -1.1229461820e+00 1.2800000000e+04 3.5411378027e-03 4.8906250000e-02
35 -4.4123942014e-01 3.8874195832e-01 -1.1407065905e+00 6.9946717038e-01 -1.1407065905e+00 1.2800000000e+04 3.5348968359e-03 4.6328125000e-02
36 -4.5121964470e-01 4.6525814790e-01 -1.2624392222e+00 8.1121957753e-01 -1.2624392222e+00 1.2800000000e+04 3.5255598242e-03 4.1328125000e-02
37 -4.6958604654e-01 4.9119098541e-01 -1.2491502060e+00 7.7956415943e-01 -1.2491502060e+00 1.2800000000e+04 3.5356991064e-03 4.7343750000e-02
38 -4.4508969489e-01 4.5166109778e-01 -1.1873083238e+00 7.4221862890e-01 -1.1873083238e+00 1.2800000000e+04 3.5347006396e-03 4.5625000000e-02
39 -5.3319328457e-01 1.6160594042e+00 -1.3078561495e+00 7.7466286496e-01 -1.3078561495e+00 1.2800000000e+04 3.5394663623e-03 4.5703125000e-02
40 -5.9747738843e-01 2.3478565061e+00 -1.3750624371e+00 7.7758504870e-01 -1.3750624371e+00 1.2800000000e+04 3.5331237256e-03 4.5703125000e-02
41 -5.5299358811e-01 1.7901852709e+00 -1.3764778791e+00 8.2348429099e-01 -1.3764778791e+00 1.2800000000e+04 3.5345619580e-03 4.5468750000e-02
42 -4.8548099036e-01 8.5254777989e-01 -1.2869624530e+00 8.0148146260e-01 -1.2869624530e+00 1.2800000000e+04 3.5377491943e-03 4.6953125000e-02
43 -5.0864459047e-01 8.3129278492e-01 -1.1919773718e+00 6.8333278132e-01 -1.1919773718e+00 1.2800000000e+04 3.5406302344e-03 5.0078125000e-02
44 -5.1421631709e-01 8.4582155426e-01 -1.2643498805e+00 7.5013356345e-01 -1.2643498805e+00 1.2800000000e+04 3.5347056592e-03 4.2187500000e-02
45 -5.4847342375e-01 8.7254191005e-01 -1.2537536932e+00 7.0528026946e-01 -1.2537536932e+00 1.2800000000e+04 3.5351011523e-03 4.7968750000e-02
46 -4.9105874838e-01 4.9170946683e-01 -1.1195371912e+00 6.2847844281e-01 -1.1195371912e+00 1.2800000000e+04 3.5463749512e-03 4.9765625000e-02
47 -5.2215995138e-01 1.6158185952e+00 -1.1837634995e+00 6.6160354808e-01 -1.1837634995e+00 1.2800000000e+04 3.5385174463e-03 4.7500000000e-02
48 -5.6453346488e-01 3.1628089376e+00 -1.3410992953e+00 7.7656583039e-01 -1.3410992953e+00 1.2800000000e+04 3.5383205127e-03 4.5937500000e-02
49 -4.9129816087e-01 3.0906749417e+00 -1.3426106289e+00 8.5131246805e-01 -1.3426106289e+00 1.2800000000e+04 3.5332876562e-03 4.5078125000e-02
50 -5.1239616630e-01 3.0800563953e+00 -1.3130040104e+00 8.0060784415e-01 -1.3130040104e+00 1.2800000000e+04 3.5260190869e-03 4.5703125000e-02
51 -5.0247517151e-01 2.3198531532e+00 -1.2833744232e+00 7.8089925168e-01 -1.2833744232e+00 1.2800000000e+04 3.5333719824e-03 4.5625000000e-02
52 -3.6997484525e-01 3.7333457745e-01 -1.2164445954e+00 8.4646975010e-01 -1.2164445954e+00 1.2800000000e+04 3.5347082080e-03 4.1640625000e-02
53 -4.8301452333e-01 8.2283008225e-01 -1.2260215853e+00 7.4300706198e-01 -1.2260215853e+00 1.2800000000e+04 3.5383157812e-03 4.7421875000e-02
54 -5.0986291017e-01 8.6271436787e-01 -1.1967563662e+00 6.8689345604e-01 -1.1967563662e+00 1.2800000000e+04 3.5384472266e-03 4.8906250000e-02
55 -5.0603678306e-01 8.1036449215e-01 -1.1717339472e+00 6.6569716419e-01 -1.1717339472e+00 1.2800000000e+04 3.5423786084e-03 5.2265625000e-02
56 -4.7190857646e-01 4.4057722333e-01 -1.0714725430e+00 5.9956396655e-01 -1.0714725430e+00 1.2800000000e+04 3.5439600146e-03 5.1015625000e-02
57 -4.6430885670e-01 4.4770210509e-01 -1.1409991326e+00 6.7669027587e-01 -1.1409991326e+00 1.2800000000e+04 3.5448288770e-03 5.1015625000e-02
58 -4.2964408101e-01 4.1499332135e-01 -1.2058199669e+00 7.7617588593e-01 -1.2058199669e+00 1.2800000000e+04 3.5349316797e-03 4.4531250000e-02
59 -4.7448228334e-01 4.0125846956e-01 -1.1131333400e+00 6.3865105667e-01 -1.1131333400e+00 1.2800000000e+04 3.5296618994e-03 4.3359375000e-02
60 -4.3868716241e-01 3.6441100187e-01 -1.1028852901e+00 6.6419812765e-01 -1.1028852901e+00 1.2800000000e+04 3.5394394775e-03 4.8281250000e-02
61 -4.2148847302e-01 3.4605958830e-01 -1.0789030007e+00 6.5741452765e-01 -1.0789030007e+00 1.2800000000e+04 3.5372046729e-03 4.8281250000e-02
62 -4.1552393459e-01 3.5387800061e-01 -1.1342688802e+00 7.1874494561e-01 -1.1342688802e+00 1.2800000000e+04 3.5361416748e-03 4.5234375000e-02
63 -4.4367836276e-01 4.2635528957e-01 -1.1623255973e+00 7.1864723451e-01 -1.1623255973e+00 1.2800000000e+04 3.5385008203e-03 5.1718750000e-02
64 -3.8919818571e-01 3.2042463960e-01 -1.1228832688e+00 7.3368508308e-01 -1.1228832688e+00 1.2800000000e+04 3.5306265967e-03 4.6796875000e-02
65 -4.0378675974e-01 3.5965797549e-01 -1.1532016991e+00 7.4941493938e-01 -1.1532016991e+00 1.2800000000e+04 3.5383320654e-03 4.6406250000e-02
66 -4.2054125563e-01 4.0853911682e-01 -1.2600497500e+00 8.3950849440e-01 -1.2600497500e+00 1.2800000000e+04 3.5309969629e-03 4.3203125000e-02
67 -4.1050747537e-01 3.8647501100e-01 -1.2659822463e+00 8.5547477093e-01 -1.2659822463e+00 1.2800000000e+04 3.5268289404e-03 4.0312500000e-02
68 -4.1315201517e-01 3.4724158643e-01 -1.1682990910e+00 7.5514707582e-01 -1.1682990910e+00 1.2800000000e+04 3.5316857422e-03 4.5625000000e-02
69 -4.1225890802e-01 3.3123549215e-01 -1.1090093505e+00 6.9675044245e-01 -1.1090093505e+00 1.2800000000e+04 3.5380930078e-03 5.0390625000e-02
70 -4.1596530540e-01 3.2712601518e-01 -1.1029796868e+00 6.8701438138e-01 -1.1029796868e+00 1.2800000000e+04 3.5385101855e-03 4.8046875000e-02
71 -3.7068529918e-01 3.0413588953e-01 -1.1611984967e+00 7.9051319755e-01 -1.1611984967e+00 1.2800000000e+04 3.5295205176e-03 4.1953125000e-02
72 -3.7332543998e-01 3.0371406150e-01 -1.1559851872e+00 7.8265974719e-01 -1.1559851872e+00 1.2800000000e+04 3.5369807715e-03 4.6328125000e-02
73 -3.8480334420e-01 3.2360447903e-01 -1.1473362765e+00 7.6253293231e-01 -1.1473362765e+00 1.2800000000e+04 3.5353073535e-03 4.7187500000e-02
74 -4.1201831473e-01 3.7755714517e-01 -1.1787059020e+00 7.6668758730e-01 -1.1787059020e+00 1.2800000000e+04 3.5361683301e-03 4.8828125000e-02
75 -4.1952349510e-01 4.1519303443e-01 -1.2279339789e+00 8.0841048382e-01 -1.2279339789e+00 1.2800000000e+04 3.5344744385e-03 4.6328125000e-02
76 -4.5162723840e-01 4.3928858130e-01 -1.1415628894e+00 6.8993565099e-01 -1.1415628894e+00 1.2800000000e+04 3.5388572363e-03 4.9375000000e-02
77 -4.0746239340e-01 3.3338408520e-01 -1.0903372776e+00 6.8287488419e-01 -1.0903372776e+00 1.2800000000e+04 3.5356752100e-03 4.6953125000e-02
78 -4.5859859251e-01 3.6969289161e-01 -9.8916937662e-01 5.3057078411e-01 -9.8916937662e-01 1.2800000000e+04 3.5388171875e-03 5.3203125000e-02
79 -4.5185125258e-01 3.5724156283e-01 -9.9081267126e-01 5.3896141867e-01 -9.9081267126e-01 1.2800000000e+04 3.5481401270e-03 5.5625000000e-02
80 -4.5270133656e-01 3.7047874291e-01 -1.0657026696e+00 6.1300133309e-01 -1.0657026696e+00 1.2800000000e+04 3.5477893896e-03 5.3125000000e-02
81 -4.4116321897e-01 3.7067884184e-01 -1.0792348641e+00 6.3807164510e-01 -1.0792348641e+00 1.2800000000e+04 3.5425339355e-03 5.2187500000e-02
82 -4.2758930109e-01 5.2248717715e-01 -1.1782695730e+00 7.5068027190e-01 -1.1782695730e+00 1.2800000000e+04 3.5343307471e-03 4.7187500000e-02
83 -4.5337231368e-01 6.9870820440e-01 -1.1413974357e+00 6.8802512201e-01 -1.1413974357e+00 1.2800000000e+04 3.5495572998e-03 5.5703125000e-02
84 -4.4904308197e-01 5.2269519791e-01 -1.0744078084e+00 6.2536472639e-01 -1.0744078084e+00 1.2800000000e+04 3.5415441016e-03 5.4531250000e-02
85 -4.3882774300e-01 5.0286890438e-01 -1.0713648547e+00 6.3253711167e-01 -1.0713648547e+00 1.2800000000e+04 3.5452419043e-03 5.2031250000e-02
86 -3.9566703623e-01 3.7258288035e-01 -1.1661339231e+00 7.7046688692e-01 -1.1661339231e+00 1.2800000000e+04 3.5416084180e-03 4.8437500000e-02
87 -4.6673519945e-01 5.8738932077e-01 -1.2146183316e+00 7.4788313216e-01 -1.2146183316e+00 1.2800000000e+04 3.5300230225e-03 4.5078125000e-02
88 -4.5751821834e-01 9.3000581220e-01 -1.2597427441e+00 8.0222452574e-01 -1.2597427441e+00 1.2800000000e+04 3.5395830957e-03 4.8671875000e-02
89 -4.9481376840e-01 1.2375872167e+00 -1.2961180116e+00 8.0130424316e-01 -1.2961180116e+00 1.2800000000e+04 3.5385423975e-03 4.7656250000e-02
90 -4.8768983845e-01 1.1307061899e+00 -1.2374920886e+00 7.4980225010e-01 -1.2374920886e+00 1.2800000000e+04 3.5390190771e-03 4.8515625000e-02
91 -4.8136477269e-01 1.1085543719e+00 -1.2270005863e+00 7.4563581362e-01 -1.2270005863e+00 1.2800000000e+04 3.5307950439e-03 4.4062500000e-02
92 -4.7513558555e-01 9.9387922457e-01 -1.1990032217e+00 7.2386763618e-01 -1.1990032217e+00 1.2800000000e+04 3.5323658789e-03 4.6640625000e-02
93 -4.7136288656e-01 9.1468247580e-01 -1.1227632692e+00 6.5140038262e-01 -1.1227632692e+00 1.2800000000e+04 3.5460002588e-03 5.3203125000e-02
94 -4.3981078379e-01 5.9260317751e-01 -1.1778547514e+00 7.3804396756e-01 -1.1778547514e+00 1.2800000000e+04 3.5337667285e-03 4.6250000000e-02
95 -3.9864271566e-01 4.1139399381e-01 -1.2064683720e+00 8.0782565635e-01 -1.2064683720e+00 1.2800000000e+04 3.5358513428e-03 4.3359375000e-02
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409 -5.0881403942e-01 8.5454876200e-01 -1.3494043562e+00 8.4059031683e-01 -1.3494043562e+00 1.2800000000e+04 3.5273458838e-03 3.9921875000e-02
410 -5.0011163169e-01 6.7063466131e-01 -1.3422497544e+00 8.4213812269e-01 -1.3422497544e+00 1.2800000000e+04 3.5286561279e-03 4.1328125000e-02
411 -4.6178711782e-01 4.6299521694e-01 -1.2363282527e+00 7.7454113490e-01 -1.2363282527e+00 1.2800000000e+04 3.5303449561e-03 4.0781250000e-02
412 -4.4044210978e-01 3.8262238634e-01 -1.1288562394e+00 6.8841412960e-01 -1.1288562394e+00 1.2800000000e+04 3.5336105713e-03 4.5625000000e-02
413 -4.1004292051e-01 3.2705546603e-01 -1.1057063237e+00 6.9566340316e-01 -1.1057063237e+00 1.2800000000e+04 3.5376767529e-03 4.6640625000e-02
414 -4.5600709000e-01 3.8466628106e-01 -1.1280771625e+00 6.7207007255e-01 -1.1280771625e+00 1.2800000000e+04 3.5365118066e-03 4.7109375000e-02
415 -4.4287015273e-01 3.8072956893e-01 -1.1107458289e+00 6.6787567614e-01 -1.1107458289e+00 1.2800000000e+04 3.5354519824e-03 4.8515625000e-02
416 -4.7721984948e-01 5.8087494013e-01 -1.1921670021e+00 7.1494715263e-01 -1.1921670021e+00 1.2800000000e+04 3.5430295605e-03 4.9843750000e-02
417 -4.9913962912e-01 6.2200355988e-01 -1.1695623832e+00 6.7042275403e-01 -1.1695623832e+00 1.2800000000e+04 3.5435779883e-03 5.3437500000e-02
418 -4.3654905736e-01 4.3703976082e-01 -1.1726217194e+00 7.3607266203e-01 -1.1726217194e+00 1.2800000000e+04 3.5341324316e-03 4.5312500000e-02
419 -4.0903271104e-01 3.7468041525e-01 -1.2166996490e+00 8.0766693792e-01 -1.2166996490e+00 1.2800000000e+04 3.5319406885e-03 4.2187500000e-02
420 -4.1065329392e-01 3.8258713955e-01 -1.2383733768e+00 8.2772008287e-01 -1.2383733768e+00 1.2800000000e+04 3.5277248633e-03 4.3671875000e-02
421 -4.3958229971e-01 3.9442678302e-01 -1.1841933038e+00 7.4461100409e-01 -1.1841933038e+00 1.2800000000e+04 3.5365047266e-03 4.5468750000e-02
422 -4.1858159249e-01 4.1304545581e-01 -1.2028248320e+00 7.8424323955e-01 -1.2028248320e+00 1.2800000000e+04 3.5255238916e-03 4.0859375000e-02
423 -4.6410293715e-01 5.0314589815e-01 -1.2469987897e+00 7.8289585258e-01 -1.2469987897e+00 1.2800000000e+04 3.5270039307e-03 4.1484375000e-02
424 -4.3304821040e-01 4.4461978569e-01 -1.2139697080e+00 7.8092149763e-01 -1.2139697080e+00 1.2800000000e+04 3.5413173633e-03 5.1250000000e-02
425 -4.1786454020e-01 3.5928095629e-01 -1.1975990231e+00 7.7973448287e-01 -1.1975990231e+00 1.2800000000e+04 3.5473977832e-03 5.4687500000e-02
426 -4.2662144092e-01 3.7182547968e-01 -1.1805801302e+00 7.5395868924e-01 -1.1805801302e+00 1.2800000000e+04 3.5333991162e-03 4.6171875000e-02
427 -4.1937707721e-01 3.5050493115e-01 -1.1101109774e+00 6.9073390020e-01 -1.1101109774e+00 1.2800000000e+04 3.5373036914e-03 4.7343750000e-02
428 -4.6109083873e-01 5.8276383242e-01 -1.0986426746e+00 6.3755183589e-01 -1.0986426746e+00 1.2800000000e+04 3.5493345898e-03 5.5703125000e-02
429 -4.5048664154e-01 6.9336361745e-01 -1.1906274117e+00 7.4014077020e-01 -1.1906274117e+00 1.2800000000e+04 3.5366910840e-03 4.4296875000e-02
430 -3.8122831501e-01 3.1237425690e-01 -1.1218832035e+00 7.4065488848e-01 -1.1218832035e+00 1.2800000000e+04 3.5315380811e-03 4.1640625000e-02
431 -3.6947399205e-01 3.1703152363e-01 -1.1214109478e+00 7.5193695577e-01 -1.1214109478e+00 1.2800000000e+04 3.5372452197e-03 5.0000000000e-02
432 -4.0904084532e-01 6.1996342252e-01 -1.1355898608e+00 7.2654901545e-01 -1.1355898608e+00 1.2800000000e+04 3.5373671191e-03 4.9843750000e-02
433 -4.2498522772e-01 6.4664764611e-01 -1.1527259939e+00 7.2774076621e-01 -1.1527259939e+00 1.2800000000e+04 3.5334862988e-03 4.7343750000e-02
434 -4.0599347331e-01 3.8095388805e-01 -1.1727768894e+00 7.6678341606e-01 -1.1727768894e+00 1.2800000000e+04 3.5389432715e-03 4.9140625000e-02
435 -3.9262128815e-01 3.6641374563e-01 -1.1820331028e+00 7.8941181470e-01 -1.1820331028e+00 1.2800000000e+04 3.5292401514e-03 4.4140625000e-02
436 -4.2056984972e-01 6.0898910966e-01 -1.2134619322e+00 7.9289208244e-01 -1.2134619322e+00 1.2800000000e+04 3.5347989795e-03 4.5078125000e-02
437 -4.8067463169e-01 9.3932667699e-01 -1.3019885237e+00 8.2131389201e-01 -1.3019885237e+00 1.2800000000e+04 3.5308613818e-03 4.3750000000e-02
438 -5.0505858756e-01 9.3567476691e-01 -1.2098209987e+00 7.0476241111e-01 -1.2098209987e+00 1.2800000000e+04 3.5437060791e-03 5.3515625000e-02
439 -4.9179542567e-01 5.2634698536e-01 -1.1645358808e+00 6.7274045511e-01 -1.1645358808e+00 1.2800000000e+04 3.5449952100e-03 5.0937500000e-02
440 -5.6177308425e-01 1.4479768892e+00 -1.3137514474e+00 7.5197836317e-01 -1.3137514474e+00 1.2800000000e+04 3.5399155957e-03 4.8750000000e-02
441 -5.2505117328e-01 1.3011766702e+00 -1.3491215589e+00 8.2407038561e-01 -1.3491215589e+00 1.2800000000e+04 3.5342787207e-03 4.3125000000e-02
442 -4.8174889431e-01 5.7448591110e-01 -1.2520767824e+00 7.7032788813e-01 -1.2520767824e+00 1.2800000000e+04 3.5327339697e-03 4.6640625000e-02
443 -4.4740217525e-01 4.3527456321e-01 -1.1810365311e+00 7.3363435585e-01 -1.1810365311e+00 1.2800000000e+04 3.5381751367e-03 4.7265625000e-02
444 -4.8222988386e-01 5.2497865878e-01 -1.1760253451e+00 6.9379546120e-01 -1.1760253451e+00 1.2800000000e+04 3.5400956836e-03 4.7265625000e-02
445 -5.1079219942e-01 5.5832183999e-01 -1.2020516621e+00 6.9125946272e-01 -1.2020516621e+00 1.2800000000e+04 3.5453340527e-03 5.5703125000e-02
446 -4.9141458191e-01 4.6781848733e-01 -1.1666398204e+00 6.7522523847e-01 -1.1666398204e+00 1.2800000000e+04 3.5408776807e-03 5.1484375000e-02
447 -4.6281295158e-01 4.2757390703e-01 -1.2037017299e+00 7.4088877834e-01 -1.2037017299e+00 1.2800000000e+04 3.5444487354e-03 5.1093750000e-02
448 -4.6807115531e-01 5.4814491693e-01 -1.2439268492e+00 7.7585569387e-01 -1.2439268492e+00 1.2800000000e+04 3.5364959424e-03 4.5000000000e-02
449 -4.9885904595e-01 6.0684124964e-01 -1.2274785396e+00 7.2861949367e-01 -1.2274785396e+00 1.2800000000e+04 3.5392025928e-03 4.8125000000e-02
450 -4.6851559196e-01 3.9439930637e-01 -1.1507030334e+00 6.8218744148e-01 -1.1507030334e+00 1.2800000000e+04 3.5357015771e-03 4.7187500000e-02
451 -4.2584172110e-01 3.5963571832e-01 -1.1504766604e+00 7.2463493929e-01 -1.1504766604e+00 1.2800000000e+04 3.5317491797e-03 4.5781250000e-02
452 -4.4243089407e-01 3.8779144898e-01 -1.1514742677e+00 7.0904337360e-01 -1.1514742677e+00 1.2800000000e+04 3.5312934619e-03 4.2812500000e-02
453 -4.3524874454e-01 3.7342165118e-01 -1.1291258733e+00 6.9387712876e-01 -1.1291258733e+00 1.2800000000e+04 3.5382826758e-03 5.0234375000e-02
454 -4.1628437098e-01 5.2121399488e-01 -1.2066762563e+00 7.9039188528e-01 -1.2066762563e+00 1.2800000000e+04 3.5416367725e-03 4.7656250000e-02
455 -4.6835834555e-01 9.6135905243e-01 -1.2088218995e+00 7.4046355391e-01 -1.2088218995e+00 1.2800000000e+04 3.5375199023e-03 4.8828125000e-02
456 -4.8067663641e-01 1.0555908028e+00 -1.2442024772e+00 7.6352584080e-01 -1.2442024772e+00 1.2800000000e+04 3.5280528955e-03 4.2890625000e-02
457 -4.8022243881e-01 9.8172299528e-01 -1.2441940346e+00 7.6397159576e-01 -1.2441940346e+00 1.2800000000e+04 3.5400821338e-03 4.9843750000e-02
458 -4.9522740279e-01 1.0229959427e+00 -1.2735746754e+00 7.7834727259e-01 -1.2735746754e+00 1.2800000000e+04 3.5356960938e-03 4.8203125000e-02
459 -5.1462446939e-01 1.0250601420e+00 -1.2563059531e+00 7.4168148372e-01 -1.2563059531e+00 1.2800000000e+04 3.5327877441e-03 4.6796875000e-02
460 -5.0278907286e-01 1.0199742113e+00 -1.2553655260e+00 7.5257645317e-01 -1.2553655260e+00 1.2800000000e+04 3.5407956787e-03 4.9296875000e-02
461 -4.7840559316e-01 9.9528711865e-01 -1.2608228807e+00 7.8241728757e-01 -1.2608228807e+00 1.2800000000e+04 3.5369369092e-03 4.7656250000e-02
462 -4.5153362367e-01 1.1707455273e+00 -1.3287507809e+00 8.7721715728e-01 -1.3287507809e+00 1.2800000000e+04 3.5350709131e-03 4.6796875000e-02
463 -5.4043038150e-01 2.1798531504e+00 -1.3858071652e+00 8.4537678373e-01 -1.3858071652e+00 1.2800000000e+04 3.5355659375e-03 4.4765625000e-02
464 -5.9139552309e-01 2.4791299291e+00 -1.4497418233e+00 8.5834630019e-01 -1.4497418233e+00 1.2800000000e+04 3.5366011230e-03 4.7187500000e-02
465 -5.1519953208e-01 1.9556472238e+00 -1.3329201227e+00 8.1772059058e-01 -1.3329201227e+00 1.2800000000e+04 3.5320137793e-03 4.5000000000e-02
466 -4.2326605903e-01 9.8176413597e-01 -1.2268094403e+00 8.0354338129e-01 -1.2268094403e+00 1.2800000000e+04 3.5304040869e-03 4.1796875000e-02
467 -4.7394160389e-01 8.3179104919e-01 -1.2697689003e+00 7.9582729641e-01 -1.2697689003e+00 1.2800000000e+04 3.5370648291e-03 4.6718750000e-02
468 -5.2315557553e-01 9.0203386158e-01 -1.2230066746e+00 6.9985109911e-01 -1.2230066746e+00 1.2800000000e+04 3.5364986865e-03 4.8593750000e-02
469 -4.9617823892e-01 8.2260752515e-01 -1.2415764578e+00 7.4539821891e-01 -1.2415764578e+00 1.2800000000e+04 3.5372693604e-03 4.8125000000e-02
470 -4.6755205268e-01 6.9378496533e-01 -1.3291107697e+00 8.6155871704e-01 -1.3291107697e+00 1.2800000000e+04 3.5305578711e-03 4.2656250000e-02
471 -4.4888116349e-01 4.2724173878e-01 -1.2355979786e+00 7.8671681515e-01 -1.2355979786e+00 1.2800000000e+04 3.5322479590e-03 4.4765625000e-02
472 -4.2893872961e-01 3.6296823402e-01 -1.2123655994e+00 7.8342686974e-01 -1.2123655994e+00 1.2800000000e+04 3.5319958057e-03 4.0937500000e-02
473 -4.7786562434e-01 4.2443752012e-01 -1.1779961778e+00 7.0013055348e-01 -1.1779961778e+00 1.2800000000e+04 3.5370559570e-03 4.6250000000e-02
474 -4.8684165812e-01 4.5108515340e-01 -1.1545992357e+00 6.6775757759e-01 -1.1545992357e+00 1.2800000000e+04 3.5484962988e-03 5.5703125000e-02
475 -4.7491322186e-01 4.6027748046e-01 -1.1921105245e+00 7.1719730261e-01 -1.1921105245e+00 1.2800000000e+04 3.5447325781e-03 5.0078125000e-02
476 -4.5246901707e-01 3.6956102966e-01 -1.1540236370e+00 7.0155461997e-01 -1.1540236370e+00 1.2800000000e+04 3.5377861621e-03 4.7500000000e-02
477 -4.3224729896e-01 5.4398745380e-01 -1.1478487664e+00 7.1560146741e-01 -1.1478487664e+00 1.2800000000e+04 3.5332594922e-03 4.5546875000e-02
478 -4.5979346924e-01 5.2706052516e-01 -1.1511006813e+00 6.9130721201e-01 -1.1511006813e+00 1.2800000000e+04 3.5407419531e-03 5.0078125000e-02
479 -4.7347859740e-01 5.2643200801e-01 -1.1227638160e+00 6.4928521865e-01 -1.1227638160e+00 1.2800000000e+04 3.5437241504e-03 5.3046875000e-02
480 -4.5977295880e-01 5.5401142675e-01 -1.2161081254e+00 7.5633516661e-01 -1.2161081254e+00 1.2800000000e+04 3.5400641113e-03 5.0625000000e-02
481 -4.0140228097e-01 5.0897769411e-01 -1.2143308971e+00 8.1292861610e-01 -1.2143308971e+00 1.2800000000e+04 3.5385613379e-03 4.5781250000e-02
482 -4.8087653358e-01 5.1525271351e-01 -1.1849067034e+00 7.0403016985e-01 -1.1849067034e+00 1.2800000000e+04 3.5473237256e-03 5.3203125000e-02
483 -4.5023730967e-01 4.0425542581e-01 -1.1533308412e+00 7.0309353156e-01 -1.1533308412e+00 1.2800000000e+04 3.5390157471e-03 4.7109375000e-02
484 -4.3927936529e-01 3.9132401563e-01 -1.1296313343e+00 6.9035196899e-01 -1.1296313343e+00 1.2800000000e+04 3.5372842432e-03 4.6953125000e-02
485 -4.1279106771e-01 4.2071240972e-01 -1.1490257532e+00 7.3623468552e-01 -1.1490257532e+00 1.2800000000e+04 3.5335889160e-03 4.3359375000e-02
486 -4.2031822559e-01 4.5949052177e-01 -1.2075277256e+00 7.8720950000e-01 -1.2075277256e+00 1.2800000000e+04 3.5285316260e-03 3.9062500000e-02
487 -4.1591769415e-01 5.0815376383e-01 -1.2818797216e+00 8.6596202748e-01 -1.2818797216e+00 1.2800000000e+04 3.5372105176e-03 4.3125000000e-02
488 -4.4402498461e-01 5.3010414030e-01 -1.2684819563e+00 8.2445697173e-01 -1.2684819563e+00 1.2800000000e+04 3.5319749170e-03 4.3750000000e-02
489 -4.3821926611e-01 5.5315708129e-01 -1.3371284023e+00 8.9890913623e-01 -1.3371284023e+00 1.2800000000e+04 3.5283651465e-03 4.1171875000e-02
490 -3.9942293640e-01 4.3095171929e-01 -1.2608163232e+00 8.6139338681e-01 -1.2608163232e+00 1.2800000000e+04 3.5274596924e-03 4.0390625000e-02
491 -4.1692351803e-01 4.3345214271e-01 -1.2055664617e+00 7.8864294366e-01 -1.2055664617e+00 1.2800000000e+04 3.5359552051e-03 4.3906250000e-02
492 -4.6571648268e-01 4.6673070025e-01 -1.1604532467e+00 6.9473676400e-01 -1.1604532467e+00 1.2800000000e+04 3.5392562305e-03 4.6796875000e-02
493 -4.3586068222e-01 4.3397259976e-01 -1.1467806649e+00 7.1091998273e-01 -1.1467806649e+00 1.2800000000e+04 3.5362007959e-03 5.0000000000e-02
494 -4.5431935927e-01 4.4017845036e-01 -1.1034985238e+00 6.4917916456e-01 -1.1034985238e+00 1.2800000000e+04 3.5360042139e-03 4.7734375000e-02
495 -4.2091672225e-01 3.5758058993e-01 -1.1150183578e+00 6.9410163559e-01 -1.1150183578e+00 1.2800000000e+04 3.5410127100e-03 4.6718750000e-02
496 -4.1227137012e-01 3.7752673527e-01 -1.1354860062e+00 7.2321463612e-01 -1.1354860062e+00 1.2800000000e+04 3.5330343604e-03 4.7578125000e-02
497 -4.2487911326e-01 3.4355231907e-01 -1.0665365708e+00 6.4165745752e-01 -1.0665365708e+00 1.2800000000e+04 3.5345442725e-03 4.6015625000e-02
498 -4.1328269816e-01 3.4211114701e-01 -1.0910012066e+00 6.7771850849e-01 -1.0910012066e+00 1.2800000000e+04 3.5394548389e-03 5.2187500000e-02
499 -3.2784901747e-01 2.7720938774e-01 -1.2548469692e+00 9.2699795175e-01 -1.2548469692e+00 1.2800000000e+04 3.5262194092e-03 3.8906250000e-02

501
labs/lab1_qmc_statistics/autocorrelation/H.s001.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5197898039e-01 3.7786504843e-01 -1.1174755829e+00 6.6549660247e-01 -1.1174755829e+00 1.2800000000e+04 3.7044296484e-03 1.3359375000e-01
1 -4.9736489815e-01 1.2411163836e+00 -1.1183769626e+00 6.2101206444e-01 -1.1183769626e+00 1.2800000000e+04 3.7131798291e-03 1.4171875000e-01
2 -4.5519744050e-01 7.6883251952e-01 -1.0824393592e+00 6.2724191870e-01 -1.0824393592e+00 1.2800000000e+04 3.6834163086e-03 1.2359375000e-01
3 -4.2974091225e-01 3.4791298133e-01 -1.0727247746e+00 6.4298386238e-01 -1.0727247746e+00 1.2800000000e+04 3.6931913281e-03 1.2554687500e-01
4 -4.0157054714e-01 3.2717971104e-01 -1.1090474156e+00 7.0747686847e-01 -1.1090474156e+00 1.2800000000e+04 3.7074338916e-03 1.3796875000e-01
5 -4.4147410422e-01 4.3306453842e-01 -1.2284830560e+00 7.8700895176e-01 -1.2284830560e+00 1.2800000000e+04 3.6834379834e-03 1.2242187500e-01
6 -4.5831459417e-01 4.9903770843e-01 -1.1567045925e+00 6.9838999836e-01 -1.1567045925e+00 1.2800000000e+04 3.6931477393e-03 1.2679687500e-01
7 -4.9201389318e-01 5.5892659462e-01 -1.1394650185e+00 6.4745112530e-01 -1.1394650185e+00 1.2800000000e+04 3.7015712354e-03 1.3382812500e-01
8 -4.5678643992e-01 5.8944706889e-01 -1.2374160056e+00 7.8062956573e-01 -1.2374160056e+00 1.2800000000e+04 3.6787256641e-03 1.2312500000e-01
9 -4.9265140612e-01 8.1472928544e-01 -1.3365164440e+00 8.4386503793e-01 -1.3365164440e+00 1.2800000000e+04 3.6799655029e-03 1.1914062500e-01
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424 -4.6318154101e-01 4.6194946215e-01 -1.0955946148e+00 6.3241307378e-01 -1.0955946148e+00 1.2800000000e+04 3.6901647363e-03 1.2531250000e-01
425 -4.4942900722e-01 4.9541341137e-01 -1.2174186576e+00 7.6798965039e-01 -1.2174186576e+00 1.2800000000e+04 3.6833677295e-03 1.2156250000e-01
426 -4.5607715824e-01 5.3242690935e-01 -1.2715341189e+00 8.1545696065e-01 -1.2715341189e+00 1.2800000000e+04 3.6738649463e-03 1.1554687500e-01
427 -4.9680817873e-01 6.3051861040e-01 -1.1721702989e+00 6.7536212013e-01 -1.1721702989e+00 1.2800000000e+04 3.6960589990e-03 1.3109375000e-01
428 -4.4471994790e-01 4.6045941141e-01 -1.2019538868e+00 7.5723393889e-01 -1.2019538868e+00 1.2800000000e+04 3.6850820947e-03 1.2406250000e-01
429 -3.9450420398e-01 3.6275302089e-01 -1.2151442084e+00 8.2064000440e-01 -1.2151442084e+00 1.2800000000e+04 3.6734773291e-03 1.1710937500e-01
430 -4.7205758177e-01 8.9800780951e-01 -1.2501631494e+00 7.7810556761e-01 -1.2501631494e+00 1.2800000000e+04 3.7068555615e-03 1.3304687500e-01
431 -5.1321248146e-01 1.0859866836e+00 -1.3043447425e+00 7.9113226106e-01 -1.3043447425e+00 1.2800000000e+04 3.6985287646e-03 1.3062500000e-01
432 -4.0588871571e-01 3.8980273234e-01 -1.1631168893e+00 7.5722817359e-01 -1.1631168893e+00 1.2800000000e+04 3.6823613525e-03 1.1968750000e-01
433 -3.8339126604e-01 3.5320235990e-01 -1.1614692702e+00 7.7807800414e-01 -1.1614692702e+00 1.2800000000e+04 3.6852406543e-03 1.2429687500e-01
434 -4.1552186677e-01 3.8275589737e-01 -1.1600591833e+00 7.4453731648e-01 -1.1600591833e+00 1.2800000000e+04 3.6800094727e-03 1.2039062500e-01
435 -4.3887888504e-01 4.6672955143e-01 -1.1861589596e+00 7.4728007461e-01 -1.1861589596e+00 1.2800000000e+04 3.6760806885e-03 1.1828125000e-01
436 -3.9381241654e-01 4.4869412103e-01 -1.2278384417e+00 8.3402602513e-01 -1.2278384417e+00 1.2800000000e+04 3.6699915381e-03 1.1468750000e-01
437 -4.1129853380e-01 6.0471813877e-01 -1.2225058173e+00 8.1120728350e-01 -1.2225058173e+00 1.2800000000e+04 3.6773229785e-03 1.1679687500e-01
438 -4.0726843540e-01 3.6287052435e-01 -1.2309100138e+00 8.2364157843e-01 -1.2309100138e+00 1.2800000000e+04 3.6728998535e-03 1.1914062500e-01
439 -4.4424928333e-01 4.5833053303e-01 -1.1867583734e+00 7.4250909005e-01 -1.1867583734e+00 1.2800000000e+04 3.6819999707e-03 1.2343750000e-01
440 -4.6975573270e-01 4.1323583951e-01 -1.1380400029e+00 6.6828427018e-01 -1.1380400029e+00 1.2800000000e+04 3.7009161230e-03 1.3031250000e-01
441 -5.0699128192e-01 6.1756818615e-01 -1.1562921326e+00 6.4930085063e-01 -1.1562921326e+00 1.2800000000e+04 3.6942454736e-03 1.2593750000e-01
442 -5.2987467083e-01 1.5847165458e+00 -1.2650214154e+00 7.3514674461e-01 -1.2650214154e+00 1.2800000000e+04 3.6894275781e-03 1.2656250000e-01
443 -5.7173070233e-01 1.4708570045e+00 -1.2804727441e+00 7.0874204174e-01 -1.2804727441e+00 1.2800000000e+04 3.6979961914e-03 1.3156250000e-01
444 -4.3607502662e-01 5.5296500965e-01 -1.2491381706e+00 8.1306314401e-01 -1.2491381706e+00 1.2800000000e+04 3.6709617822e-03 1.1671875000e-01
445 -4.2726073788e-01 3.8749788958e-01 -1.1658214373e+00 7.3856069939e-01 -1.1658214373e+00 1.2800000000e+04 3.6830295264e-03 1.2203125000e-01
446 -4.0493693439e-01 3.5101480785e-01 -1.1638743984e+00 7.5893746401e-01 -1.1638743984e+00 1.2800000000e+04 3.6787197803e-03 1.1742187500e-01
447 -4.2415823994e-01 3.6981625130e-01 -1.1159303996e+00 6.9177215963e-01 -1.1159303996e+00 1.2800000000e+04 3.6945620898e-03 1.3000000000e-01
448 -4.9829252971e-01 1.4881449675e+00 -1.1341984327e+00 6.3590590301e-01 -1.1341984327e+00 1.2800000000e+04 3.6915207471e-03 1.2992187500e-01
449 -5.0635363981e-01 7.7943954612e-01 -1.1708616095e+00 6.6450796970e-01 -1.1708616095e+00 1.2800000000e+04 3.6909386572e-03 1.2664062500e-01
450 -4.4800135350e-01 5.3030831769e-01 -1.1731359236e+00 7.2513457006e-01 -1.1731359236e+00 1.2800000000e+04 3.6747389648e-03 1.1437500000e-01
451 -4.2739958021e-01 5.7098862328e-01 -1.2629742757e+00 8.3557469550e-01 -1.2629742757e+00 1.2800000000e+04 3.6882828906e-03 1.2476562500e-01
452 -4.6734957388e-01 6.7587662084e-01 -1.1489979559e+00 6.8164838199e-01 -1.1489979559e+00 1.2800000000e+04 3.6970672559e-03 1.3101562500e-01
453 -5.2790333620e-01 9.1380486258e-01 -1.2788140175e+00 7.5091068128e-01 -1.2788140175e+00 1.2800000000e+04 3.6941046973e-03 1.3015625000e-01
454 -4.2745758896e-01 4.6916481521e-01 -1.2297427131e+00 8.0228512413e-01 -1.2297427131e+00 1.2800000000e+04 3.6816094922e-03 1.1937500000e-01
455 -4.3885680361e-01 3.6355681316e-01 -1.0955063673e+00 6.5664956366e-01 -1.0955063673e+00 1.2800000000e+04 3.6989297266e-03 1.3140625000e-01
456 -3.9332459963e-01 3.2935607900e-01 -1.1668472599e+00 7.7352266027e-01 -1.1668472599e+00 1.2800000000e+04 3.6863028320e-03 1.2437500000e-01
457 -4.6569668193e-01 6.3115024945e-01 -1.2154500288e+00 7.4975334684e-01 -1.2154500288e+00 1.2800000000e+04 3.6763972168e-03 1.1546875000e-01
458 -4.5636633644e-01 4.4823729135e-01 -1.1306392179e+00 6.7427288150e-01 -1.1306392179e+00 1.2800000000e+04 3.6931544580e-03 1.2789062500e-01
459 -4.6978315552e-01 5.4487053324e-01 -1.2003793610e+00 7.3059620553e-01 -1.2003793610e+00 1.2800000000e+04 3.6848864990e-03 1.2546875000e-01
460 -4.6780053068e-01 5.2077754389e-01 -1.1643197073e+00 6.9651917662e-01 -1.1643197073e+00 1.2800000000e+04 3.6921091943e-03 1.2859375000e-01
461 -3.8973476139e-01 3.7834257553e-01 -1.1836656948e+00 7.9393093337e-01 -1.1836656948e+00 1.2800000000e+04 3.6793030859e-03 1.1570312500e-01
462 -4.6563505303e-01 4.0865147031e-01 -1.1186050719e+00 6.5297001891e-01 -1.1186050719e+00 1.2800000000e+04 3.7027639160e-03 1.3445312500e-01
463 -4.4161861612e-01 3.7848161185e-01 -1.1696855752e+00 7.2806695903e-01 -1.1696855752e+00 1.2800000000e+04 3.6921379492e-03 1.2812500000e-01
464 -4.6530270913e-01 4.2534179844e-01 -1.1708556975e+00 7.0555298834e-01 -1.1708556975e+00 1.2800000000e+04 3.6885850928e-03 1.2515625000e-01
465 -4.4006860773e-01 4.0350918467e-01 -1.1622803070e+00 7.2221169931e-01 -1.1622803070e+00 1.2800000000e+04 3.6990727832e-03 1.3179687500e-01
466 -4.3050000006e-01 6.1346120337e-01 -1.2333285178e+00 8.0282851777e-01 -1.2333285178e+00 1.2800000000e+04 3.6785885645e-03 1.1851562500e-01
467 -4.9446847857e-01 8.3284345340e-01 -1.2676230939e+00 7.7315461537e-01 -1.2676230939e+00 1.2800000000e+04 3.6830897070e-03 1.2523437500e-01
468 -4.6515860600e-01 7.6312301615e-01 -1.1921205434e+00 7.2696193742e-01 -1.1921205434e+00 1.2800000000e+04 3.6913258594e-03 1.2609375000e-01
469 -4.6495899259e-01 7.9495158970e-01 -1.1960364688e+00 7.3107747622e-01 -1.1960364688e+00 1.2800000000e+04 3.6850179785e-03 1.2320312500e-01
470 -5.1515473853e-01 1.4509608595e+00 -1.3226870238e+00 8.0753228523e-01 -1.3226870238e+00 1.2800000000e+04 3.6706087842e-03 1.1234375000e-01
471 -4.3198482599e-01 7.0481349467e-01 -1.1664048893e+00 7.3442006336e-01 -1.1664048893e+00 1.2800000000e+04 3.6877214795e-03 1.2335937500e-01
472 -4.3309485027e-01 4.4167303481e-01 -1.1648614559e+00 7.3176660564e-01 -1.1648614559e+00 1.2800000000e+04 3.6895631445e-03 1.2812500000e-01
473 -4.5251138698e-01 4.4070094789e-01 -1.1368352472e+00 6.8432386022e-01 -1.1368352472e+00 1.2800000000e+04 3.7044171826e-03 1.3515625000e-01
474 -4.9435563929e-01 1.1148028799e+00 -1.2389089934e+00 7.4455335410e-01 -1.2389089934e+00 1.2800000000e+04 3.7063625391e-03 1.3398437500e-01
475 -4.7522419073e-01 5.7218324120e-01 -1.2449088522e+00 7.6968466149e-01 -1.2449088522e+00 1.2800000000e+04 3.6829163135e-03 1.2257812500e-01
476 -4.4539479270e-01 5.9174158591e-01 -1.3166634048e+00 8.7126861209e-01 -1.3166634048e+00 1.2800000000e+04 3.6647855615e-03 1.0976562500e-01
477 -4.0072313927e-01 3.6270284529e-01 -1.2745585390e+00 8.7383539977e-01 -1.2745585390e+00 1.2800000000e+04 3.6682007129e-03 1.1414062500e-01
478 -4.6938438930e-01 9.9816931466e-01 -1.2134246091e+00 7.4404021984e-01 -1.2134246091e+00 1.2800000000e+04 3.6921533691e-03 1.2890625000e-01
479 -3.9778283297e-01 3.8778422127e-01 -1.1565027798e+00 7.5871994680e-01 -1.1565027798e+00 1.2800000000e+04 3.6800635938e-03 1.1765625000e-01
480 -4.3483271076e-01 6.4158504351e-01 -1.1537230336e+00 7.1889032285e-01 -1.1537230336e+00 1.2800000000e+04 3.6898895947e-03 1.2500000000e-01
481 -4.6659226489e-01 8.2472927657e-01 -1.2379488415e+00 7.7135657657e-01 -1.2379488415e+00 1.2800000000e+04 3.6840770605e-03 1.2335937500e-01
482 -4.8785361217e-01 6.2206419215e-01 -1.1596289716e+00 6.7177535942e-01 -1.1596289716e+00 1.2800000000e+04 3.6952330078e-03 1.3132812500e-01
483 -5.0697136215e-01 5.9679021023e-01 -1.1550859730e+00 6.4811461083e-01 -1.1550859730e+00 1.2800000000e+04 3.7014271240e-03 1.3312500000e-01
484 -4.3134353096e-01 5.1845526960e-01 -1.1540212448e+00 7.2267771389e-01 -1.1540212448e+00 1.2800000000e+04 3.6906388086e-03 1.2562500000e-01
485 -4.8684906757e-01 9.7291322621e-01 -1.3097516859e+00 8.2290261835e-01 -1.3097516859e+00 1.2800000000e+04 3.6834174463e-03 1.2390625000e-01
486 -4.6280935233e-01 7.4352636759e-01 -1.2648295185e+00 8.0202016613e-01 -1.2648295185e+00 1.2800000000e+04 3.6758426855e-03 1.1742187500e-01
487 -4.3706183080e-01 5.2333851375e-01 -1.2605496486e+00 8.2348781777e-01 -1.2605496486e+00 1.2800000000e+04 3.6696022119e-03 1.1445312500e-01
488 -4.2471993560e-01 4.9848566700e-01 -1.1906215201e+00 7.6590158449e-01 -1.1906215201e+00 1.2800000000e+04 3.6898134814e-03 1.2570312500e-01
489 -4.3794566041e-01 5.2241448112e-01 -1.1590844268e+00 7.2113876643e-01 -1.1590844268e+00 1.2800000000e+04 3.6877277881e-03 1.2625000000e-01
490 -4.5791607544e-01 4.2887249667e-01 -1.1824352600e+00 7.2451918455e-01 -1.1824352600e+00 1.2800000000e+04 3.7019174414e-03 1.3203125000e-01
491 -4.0097221510e-01 3.4265560218e-01 -1.1826625046e+00 7.8169028948e-01 -1.1826625046e+00 1.2800000000e+04 3.6772273242e-03 1.1781250000e-01
492 -4.9877607904e-01 1.0946147577e+00 -1.3264305804e+00 8.2765450131e-01 -1.3264305804e+00 1.2800000000e+04 3.6835003564e-03 1.2320312500e-01
493 -4.5072549142e-01 4.3126734701e-01 -1.2213202721e+00 7.7059478069e-01 -1.2213202721e+00 1.2800000000e+04 3.6806875830e-03 1.2007812500e-01
494 -4.3020498361e-01 4.2287426145e-01 -1.1872751083e+00 7.5707012472e-01 -1.1872751083e+00 1.2800000000e+04 3.6994163574e-03 1.3414062500e-01
495 -4.5546095457e-01 4.4504187029e-01 -1.0670447593e+00 6.1158380475e-01 -1.0670447593e+00 1.2800000000e+04 3.7081434473e-03 1.3710937500e-01
496 -4.2859971126e-01 4.0788009932e-01 -1.1803531672e+00 7.5175345592e-01 -1.1803531672e+00 1.2800000000e+04 3.6988746094e-03 1.2898437500e-01
497 -4.1119943224e-01 3.5079337538e-01 -1.1412883230e+00 7.3008889076e-01 -1.1412883230e+00 1.2800000000e+04 3.6851690723e-03 1.2421875000e-01
498 -4.2324239916e-01 3.5280574171e-01 -1.0909423078e+00 6.6769990865e-01 -1.0909423078e+00 1.2800000000e+04 3.7019625146e-03 1.3226562500e-01
499 -4.6759210328e-01 4.0903243845e-01 -1.0871851920e+00 6.1959308875e-01 -1.0871851920e+00 1.2800000000e+04 3.6871633398e-03 1.2320312500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s002.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.6289866744e-01 8.2964555101e-01 -1.2216850551e+00 7.5878638767e-01 -1.2216850551e+00 1.2800000000e+04 4.0290264209e-03 3.2437500000e-01
1 -4.4454274815e-01 5.8381637545e-01 -1.2272059377e+00 7.8266318951e-01 -1.2272059377e+00 1.2800000000e+04 4.0271962793e-03 3.2468750000e-01
2 -4.5349021054e-01 4.8923163803e-01 -1.1658222962e+00 7.1233208569e-01 -1.1658222962e+00 1.2800000000e+04 4.0497148145e-03 3.3578125000e-01
3 -4.7283151554e-01 7.1270944950e-01 -1.2176435144e+00 7.4481199889e-01 -1.2176435144e+00 1.2800000000e+04 4.0367838379e-03 3.3015625000e-01
4 -4.2742995149e-01 4.6991984726e-01 -1.1419533676e+00 7.1452341608e-01 -1.1419533676e+00 1.2800000000e+04 4.0539339600e-03 3.4039062500e-01
5 -4.4885980240e-01 4.7376719602e-01 -1.1802659527e+00 7.3140615028e-01 -1.1802659527e+00 1.2800000000e+04 4.0374565381e-03 3.2890625000e-01
6 -4.3970105108e-01 4.2336374102e-01 -1.1263227855e+00 6.8662173438e-01 -1.1263227855e+00 1.2800000000e+04 4.0481486279e-03 3.3460937500e-01
7 -4.5213998390e-01 4.7676565932e-01 -1.2064771639e+00 7.5433718005e-01 -1.2064771639e+00 1.2800000000e+04 4.0256114355e-03 3.2234375000e-01
8 -4.7604186602e-01 7.4205150031e-01 -1.2300562224e+00 7.5401435642e-01 -1.2300562224e+00 1.2800000000e+04 4.0245394043e-03 3.1960937500e-01
9 -4.5831066665e-01 4.7090315799e-01 -1.1213950898e+00 6.6308442312e-01 -1.1213950898e+00 1.2800000000e+04 4.0611787793e-03 3.4046875000e-01
10 -4.4900825250e-01 6.0406780928e-01 -1.1990056600e+00 7.4999740751e-01 -1.1990056600e+00 1.2800000000e+04 4.0262465869e-03 3.2109375000e-01
11 -4.5026041492e-01 5.7477904565e-01 -1.1797561565e+00 7.2949574161e-01 -1.1797561565e+00 1.2800000000e+04 4.0459797900e-03 3.3328125000e-01
12 -4.4818776543e-01 6.1518655368e-01 -1.2393074380e+00 7.9111967253e-01 -1.2393074380e+00 1.2800000000e+04 4.0256336426e-03 3.2257812500e-01
13 -4.8009161013e-01 7.0640296866e-01 -1.1906964762e+00 7.1060486611e-01 -1.1906964762e+00 1.2800000000e+04 4.0411121875e-03 3.3343750000e-01
14 -4.6317449372e-01 5.8474192347e-01 -1.2728227649e+00 8.0964827114e-01 -1.2728227649e+00 1.2800000000e+04 4.0097025537e-03 3.1242187500e-01
15 -4.7401248255e-01 9.0940374349e-01 -1.1879402270e+00 7.1392774448e-01 -1.1879402270e+00 1.2800000000e+04 4.0406669385e-03 3.3187500000e-01
16 -4.8621210748e-01 7.8311791033e-01 -1.1726125475e+00 6.8640044002e-01 -1.1726125475e+00 1.2800000000e+04 4.0443524219e-03 3.3421875000e-01
17 -4.7577388621e-01 6.1462524805e-01 -1.2228055068e+00 7.4703162063e-01 -1.2228055068e+00 1.2800000000e+04 4.0415818848e-03 3.3195312500e-01
18 -4.4817361861e-01 6.1675624586e-01 -1.1894374142e+00 7.4126379561e-01 -1.1894374142e+00 1.2800000000e+04 4.0317223242e-03 3.2640625000e-01
19 -5.4036212205e-01 1.3548814170e+00 -1.3088616060e+00 7.6849948394e-01 -1.3088616060e+00 1.2800000000e+04 4.0307314160e-03 3.2445312500e-01
20 -4.4458583363e-01 4.8157365353e-01 -1.1706949645e+00 7.2610913088e-01 -1.1706949645e+00 1.2800000000e+04 4.0302127295e-03 3.2546875000e-01
21 -5.0782666953e-01 1.0703827105e+00 -1.2186299963e+00 7.1080332678e-01 -1.2186299963e+00 1.2800000000e+04 4.0360097705e-03 3.2937500000e-01
22 -4.6840398513e-01 8.8758804131e-01 -1.2648729334e+00 7.9646894831e-01 -1.2648729334e+00 1.2800000000e+04 4.0251165576e-03 3.2218750000e-01
23 -4.3043032106e-01 5.8346920337e-01 -1.1804096815e+00 7.4997936049e-01 -1.1804096815e+00 1.2800000000e+04 4.0327667236e-03 3.2414062500e-01
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438 -4.5761850361e-01 7.0561905663e-01 -1.1529286014e+00 6.9531009781e-01 -1.1529286014e+00 1.2800000000e+04 4.0491631787e-03 3.3367187500e-01
439 -4.3818823395e-01 5.0660029230e-01 -1.1934804491e+00 7.5529221516e-01 -1.1934804491e+00 1.2800000000e+04 4.0369011621e-03 3.3078125000e-01
440 -5.0530029111e-01 2.2450046265e+00 -1.2150481974e+00 7.0974790634e-01 -1.2150481974e+00 1.2800000000e+04 4.0368936230e-03 3.3000000000e-01
441 -4.0670343531e-01 4.4044081298e-01 -1.1704783527e+00 7.6377491735e-01 -1.1704783527e+00 1.2800000000e+04 4.0145034717e-03 3.1359375000e-01
442 -3.9840557970e-01 3.9195787251e-01 -1.2135436095e+00 8.1513802978e-01 -1.2135436095e+00 1.2800000000e+04 4.0082156934e-03 3.1289062500e-01
443 -4.5490025551e-01 5.7615488074e-01 -1.1888453678e+00 7.3394511232e-01 -1.1888453678e+00 1.2800000000e+04 4.0376685840e-03 3.2726562500e-01
444 -4.6699996551e-01 5.6548549324e-01 -1.1975022665e+00 7.3050230099e-01 -1.1975022665e+00 1.2800000000e+04 4.0475490381e-03 3.3390625000e-01
445 -4.3734431699e-01 4.5627972401e-01 -1.1446725710e+00 7.0732825398e-01 -1.1446725710e+00 1.2800000000e+04 4.0634620605e-03 3.4398437500e-01
446 -4.4338730293e-01 5.2908098378e-01 -1.1617040853e+00 7.1831678241e-01 -1.1617040853e+00 1.2800000000e+04 4.0538119824e-03 3.3718750000e-01
447 -5.1601008860e-01 1.1469933251e+00 -1.3018495872e+00 7.8583949860e-01 -1.3018495872e+00 1.2800000000e+04 4.0295804785e-03 3.2531250000e-01
448 -4.5878545907e-01 5.3384542470e-01 -1.1666470466e+00 7.0786158758e-01 -1.1666470466e+00 1.2800000000e+04 4.0412476807e-03 3.3226562500e-01
449 -4.6104712375e-01 5.5364922838e-01 -1.1520224988e+00 6.9097537501e-01 -1.1520224988e+00 1.2800000000e+04 4.0580366309e-03 3.3609375000e-01
450 -4.5198449279e-01 8.6037928113e-01 -1.2241048498e+00 7.7212035696e-01 -1.2241048498e+00 1.2800000000e+04 4.0425391357e-03 3.2906250000e-01
451 -4.5609986969e-01 6.9674154934e-01 -1.3020147236e+00 8.4591485395e-01 -1.3020147236e+00 1.2800000000e+04 4.0018518896e-03 3.0906250000e-01
452 -4.4412918959e-01 5.1758595629e-01 -1.1717546863e+00 7.2762549671e-01 -1.1717546863e+00 1.2800000000e+04 4.0451403418e-03 3.3312500000e-01
453 -4.7439580577e-01 5.6136727565e-01 -1.2042314343e+00 7.2983562856e-01 -1.2042314343e+00 1.2800000000e+04 4.0381892236e-03 3.3140625000e-01
454 -5.0981525213e-01 2.9261944706e+00 -1.2431102425e+00 7.3329499036e-01 -1.2431102425e+00 1.2800000000e+04 4.0520490820e-03 3.3539062500e-01
455 -4.6261593423e-01 5.0779974621e-01 -1.1698711239e+00 7.0725518965e-01 -1.1698711239e+00 1.2800000000e+04 4.0351213867e-03 3.2632812500e-01
456 -4.8129901402e-01 7.4872182613e-01 -1.1850729917e+00 7.0377397773e-01 -1.1850729917e+00 1.2800000000e+04 4.0427138037e-03 3.3242187500e-01
457 -4.3554667587e-01 5.5621460770e-01 -1.1853286210e+00 7.4978194511e-01 -1.1853286210e+00 1.2800000000e+04 4.0365772217e-03 3.2765625000e-01
458 -4.8579488540e-01 1.0732600450e+00 -1.2272357954e+00 7.4144091005e-01 -1.2272357954e+00 1.2800000000e+04 4.0326879297e-03 3.2492187500e-01
459 -4.7763468702e-01 1.0791309078e+00 -1.2247536415e+00 7.4711895445e-01 -1.2247536415e+00 1.2800000000e+04 4.0462100049e-03 3.3070312500e-01
460 -4.6403562932e-01 5.2752991243e-01 -1.1920939116e+00 7.2805828228e-01 -1.1920939116e+00 1.2800000000e+04 4.0464912012e-03 3.3343750000e-01
461 -4.5068375896e-01 4.6241326907e-01 -1.1792878032e+00 7.2860404427e-01 -1.1792878032e+00 1.2800000000e+04 4.0461313428e-03 3.3546875000e-01
462 -4.2906994014e-01 4.4147135850e-01 -1.1562899542e+00 7.2722001403e-01 -1.1562899542e+00 1.2800000000e+04 4.0451306592e-03 3.3109375000e-01
463 -4.4230916390e-01 6.1467244147e-01 -1.2100745270e+00 7.6776536313e-01 -1.2100745270e+00 1.2800000000e+04 4.1497514111e-03 3.2492187500e-01
464 -4.5961916843e-01 6.5153240128e-01 -1.2571695560e+00 7.9755038752e-01 -1.2571695560e+00 1.2800000000e+04 4.0106235059e-03 3.1101562500e-01
465 -4.1567094501e-01 6.5768649328e-01 -1.1822453548e+00 7.6657440975e-01 -1.1822453548e+00 1.2800000000e+04 4.0351318896e-03 3.3062500000e-01
466 -4.5060898892e-01 5.0185923991e-01 -1.2358305007e+00 7.8522151177e-01 -1.2358305007e+00 1.2800000000e+04 4.0208041943e-03 3.2164062500e-01
467 -4.6022163833e-01 5.0127487526e-01 -1.2330166549e+00 7.7279501659e-01 -1.2330166549e+00 1.2800000000e+04 4.0320998877e-03 3.2835937500e-01
468 -4.5057554789e-01 4.5571396380e-01 -1.1583362205e+00 7.0776067257e-01 -1.1583362205e+00 1.2800000000e+04 4.0446217578e-03 3.3429687500e-01
469 -4.1941780457e-01 4.6459318478e-01 -1.1465884370e+00 7.2717063245e-01 -1.1465884370e+00 1.2800000000e+04 4.0407559814e-03 3.3085937500e-01
470 -4.5169078768e-01 7.1942024445e-01 -1.2342543317e+00 7.8256354398e-01 -1.2342543317e+00 1.2800000000e+04 4.0163915283e-03 3.1640625000e-01
471 -4.2518756647e-01 4.7133584577e-01 -1.1671169616e+00 7.4192939518e-01 -1.1671169616e+00 1.2800000000e+04 4.0304142480e-03 3.2609375000e-01
472 -4.4950628505e-01 5.6172471294e-01 -1.2073850794e+00 7.5787879436e-01 -1.2073850794e+00 1.2800000000e+04 4.0289640820e-03 3.2414062500e-01
473 -4.6037779317e-01 4.6978327252e-01 -1.1385164539e+00 6.7813866072e-01 -1.1385164539e+00 1.2800000000e+04 4.0548734033e-03 3.3875000000e-01
474 -4.4848522967e-01 9.5383105020e-01 -1.1325061963e+00 6.8402096659e-01 -1.1325061963e+00 1.2800000000e+04 4.0616280518e-03 3.4257812500e-01
475 -4.8409138072e-01 6.3246993798e-01 -1.2568376338e+00 7.7274625311e-01 -1.2568376338e+00 1.2800000000e+04 4.0341835254e-03 3.2523437500e-01
476 -4.8051449093e-01 7.6077803816e-01 -1.2101805979e+00 7.2966610697e-01 -1.2101805979e+00 1.2800000000e+04 4.0347927344e-03 3.2421875000e-01
477 -4.8921350453e-01 7.4124343993e-01 -1.2668623002e+00 7.7764879569e-01 -1.2668623002e+00 1.2800000000e+04 4.0386502979e-03 3.2679687500e-01
478 -4.2883796627e-01 3.8879251706e-01 -1.1711828727e+00 7.4234490640e-01 -1.1711828727e+00 1.2800000000e+04 4.0348233740e-03 3.2742187500e-01
479 -4.5399611478e-01 5.4986592686e-01 -1.2209219635e+00 7.6692584875e-01 -1.2209219635e+00 1.2800000000e+04 4.0346698096e-03 3.2617187500e-01
480 -5.6027061965e-01 1.2094511471e+01 -1.2973570134e+00 7.3708639380e-01 -1.2973570134e+00 1.2800000000e+04 4.0326448047e-03 3.2695312500e-01
481 -4.2379485219e-01 2.1090935955e+00 -1.2106787304e+00 7.8688387820e-01 -1.2106787304e+00 1.2800000000e+04 4.0211212939e-03 3.2046875000e-01
482 -5.0162120329e-01 1.4272551731e+00 -1.2350611677e+00 7.3343996438e-01 -1.2350611677e+00 1.2800000000e+04 4.0383391455e-03 3.2593750000e-01
483 -4.6100398684e-01 5.0295745153e-01 -1.1534922729e+00 6.9248828604e-01 -1.1534922729e+00 1.2800000000e+04 4.0551724023e-03 3.3570312500e-01
484 -4.2403347573e-01 4.0529858462e-01 -1.1769921724e+00 7.5295869668e-01 -1.1769921724e+00 1.2800000000e+04 4.0318385107e-03 3.2492187500e-01
485 -4.3892848227e-01 4.1089252608e-01 -1.1560798976e+00 7.1715141535e-01 -1.1560798976e+00 1.2800000000e+04 4.0323930420e-03 3.2656250000e-01
486 -6.0840601211e-01 1.2111198318e+01 -1.3801325738e+00 7.7172656171e-01 -1.3801325738e+00 1.2800000000e+04 4.0296088623e-03 3.2328125000e-01
487 -4.3786966601e-01 5.1448672696e-01 -1.1729982913e+00 7.3512862526e-01 -1.1729982913e+00 1.2800000000e+04 4.0407037793e-03 3.3156250000e-01
488 -4.5328599772e-01 1.4477836387e+00 -1.2199664544e+00 7.6668045665e-01 -1.2199664544e+00 1.2800000000e+04 4.0367862158e-03 3.2679687500e-01
489 -5.5749768282e-01 4.4842168287e+00 -1.2614231419e+00 7.0392545912e-01 -1.2614231419e+00 1.2800000000e+04 4.0549965674e-03 3.3789062500e-01
490 -4.4648015583e-01 3.9274189445e-01 -1.1350152401e+00 6.8853508426e-01 -1.1350152401e+00 1.2800000000e+04 4.0416889453e-03 3.2945312500e-01
491 -4.8365954592e-01 1.1652980855e+00 -1.1783427211e+00 6.9468317515e-01 -1.1783427211e+00 1.2800000000e+04 4.0482176367e-03 3.3226562500e-01
492 -4.3665772670e-01 7.7977283942e-01 -1.1801283381e+00 7.4347061142e-01 -1.1801283381e+00 1.2800000000e+04 4.0383669385e-03 3.2992187500e-01
493 -5.0432611184e-01 9.5651336887e-01 -1.2272391531e+00 7.2291304122e-01 -1.2272391531e+00 1.2800000000e+04 4.0324386084e-03 3.2796875000e-01
494 -4.0395140873e-01 4.8332007066e-01 -1.1680987342e+00 7.6414732551e-01 -1.1680987342e+00 1.2800000000e+04 4.0296713477e-03 3.2554687500e-01
495 -5.0638357476e-01 3.3539042992e+00 -1.2578158300e+00 7.5143225528e-01 -1.2578158300e+00 1.2800000000e+04 4.0380168506e-03 3.2953125000e-01
496 -4.4403689741e-01 7.4958495425e-01 -1.2055561493e+00 7.6151925192e-01 -1.2055561493e+00 1.2800000000e+04 4.0229962109e-03 3.2507812500e-01
497 -4.4463748757e-01 8.3687003980e-01 -1.2206909857e+00 7.7605349816e-01 -1.2206909857e+00 1.2800000000e+04 4.0233039502e-03 3.2125000000e-01
498 -4.4394995507e-01 5.3504699869e-01 -1.1740172148e+00 7.3006725970e-01 -1.1740172148e+00 1.2800000000e+04 4.0403300244e-03 3.2648437500e-01
499 -4.5845599207e-01 6.4257783162e-01 -1.2354203112e+00 7.7696431911e-01 -1.2354203112e+00 1.2800000000e+04 4.0335187207e-03 3.2679687500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s003.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.4045928439e-01 5.1883624733e-01 -1.2266660389e+00 7.8620675454e-01 -1.2266660389e+00 1.2800000000e+04 4.3534237695e-03 5.2015625000e-01
1 -4.4280277546e-01 4.7459479303e-01 -1.1199539450e+00 6.7715116958e-01 -1.1199539450e+00 1.2800000000e+04 4.4023728662e-03 5.4539062500e-01
2 -4.3073713321e-01 5.0279324090e-01 -1.1963086973e+00 7.6557156413e-01 -1.1963086973e+00 1.2800000000e+04 4.3611505713e-03 5.2171875000e-01
3 -4.5452759116e-01 5.3190169091e-01 -1.1993944649e+00 7.4486687378e-01 -1.1993944649e+00 1.2800000000e+04 4.3882609570e-03 5.3539062500e-01
4 -4.5435631302e-01 6.0646709861e-01 -1.1938391668e+00 7.3948285377e-01 -1.1938391668e+00 1.2800000000e+04 4.3935348096e-03 5.3929687500e-01
5 -4.4423426665e-01 5.3811511157e-01 -1.1878898952e+00 7.4365562859e-01 -1.1878898952e+00 1.2800000000e+04 4.3712258594e-03 5.3000000000e-01
6 -4.5502809416e-01 8.3319771630e-01 -1.2004896153e+00 7.4546152114e-01 -1.2004896153e+00 1.2800000000e+04 4.3737532227e-03 5.3179687500e-01
7 -4.5856164504e-01 5.4854802346e-01 -1.1771676782e+00 7.1860603317e-01 -1.1771676782e+00 1.2800000000e+04 4.3921726709e-03 5.4007812500e-01
8 -4.6097280031e-01 6.7800867407e-01 -1.1932880713e+00 7.3231527103e-01 -1.1932880713e+00 1.2800000000e+04 4.3790191943e-03 5.3429687500e-01
9 -4.3802383595e-01 4.7535093888e-01 -1.1782326533e+00 7.4020881733e-01 -1.1782326533e+00 1.2800000000e+04 4.3771084229e-03 5.3468750000e-01
10 -4.3153859569e-01 5.1393984974e-01 -1.1854533219e+00 7.5391472621e-01 -1.1854533219e+00 1.2800000000e+04 4.3622526514e-03 5.2585937500e-01
11 -4.4601015859e-01 5.1769197714e-01 -1.1933297199e+00 7.4731956128e-01 -1.1933297199e+00 1.2800000000e+04 4.3818111523e-03 5.3429687500e-01
12 -4.4584822918e-01 5.4166225690e-01 -1.2070723210e+00 7.6122409185e-01 -1.2070723210e+00 1.2800000000e+04 4.3634207080e-03 5.2265625000e-01
13 -4.3954283817e-01 4.3791184773e-01 -1.1625633655e+00 7.2302052736e-01 -1.1625633655e+00 1.2800000000e+04 4.3928550830e-03 5.3984375000e-01
14 -4.4230861517e-01 4.6407707725e-01 -1.1939115763e+00 7.5160296116e-01 -1.1939115763e+00 1.2800000000e+04 4.3727547559e-03 5.3039062500e-01
15 -4.5155616016e-01 6.4035805202e-01 -1.1797924700e+00 7.2823630985e-01 -1.1797924700e+00 1.2800000000e+04 4.3733067627e-03 5.3187500000e-01
16 -4.6747303299e-01 6.3122524882e-01 -1.1746793556e+00 7.0720632260e-01 -1.1746793556e+00 1.2800000000e+04 4.4125637500e-03 5.5367187500e-01
17 -5.0681918430e-01 1.3131032355e+00 -1.1879056159e+00 6.8108643161e-01 -1.1879056159e+00 1.2800000000e+04 4.4011535791e-03 5.4968750000e-01
18 -4.7828080811e-01 1.2010621038e+00 -1.2642653839e+00 7.8598457581e-01 -1.2642653839e+00 1.2800000000e+04 4.3624418115e-03 5.2398437500e-01
19 -4.5545907541e-01 5.6014645312e-01 -1.2349211981e+00 7.7946212272e-01 -1.2349211981e+00 1.2800000000e+04 4.3535653369e-03 5.2007812500e-01
20 -4.4232032794e-01 5.0451326497e-01 -1.1830794717e+00 7.4075914379e-01 -1.1830794717e+00 1.2800000000e+04 4.3882779297e-03 5.3750000000e-01
21 -4.3128557943e-01 5.4315502029e-01 -1.1632395890e+00 7.3195400958e-01 -1.1632395890e+00 1.2800000000e+04 4.3859344922e-03 5.3835937500e-01
22 -4.8033421174e-01 1.6475343414e+00 -1.2148770038e+00 7.3454279210e-01 -1.2148770038e+00 1.2800000000e+04 4.3870175049e-03 5.3804687500e-01
23 -4.7479720895e-01 8.6404216758e-01 -1.1850566368e+00 7.1025942781e-01 -1.1850566368e+00 1.2800000000e+04 4.3889202148e-03 5.4234375000e-01
24 -4.5412548825e-01 6.7771988673e-01 -1.2046218048e+00 7.5049631656e-01 -1.2046218048e+00 1.2800000000e+04 4.3873994873e-03 5.3750000000e-01
25 -4.9283884862e-01 9.6342525494e-01 -1.1898708887e+00 6.9703204005e-01 -1.1898708887e+00 1.2800000000e+04 4.3882188232e-03 5.4289062500e-01
26 -4.4959686833e-01 6.7624144605e-01 -1.1862010611e+00 7.3660419277e-01 -1.1862010611e+00 1.2800000000e+04 4.3799652246e-03 5.3640625000e-01
27 -4.3762268251e-01 5.7311497733e-01 -1.1668545309e+00 7.2923184842e-01 -1.1668545309e+00 1.2800000000e+04 4.3880081641e-03 5.3468750000e-01
28 -4.4372807324e-01 5.3893427036e-01 -1.2137125188e+00 7.6998444558e-01 -1.2137125188e+00 1.2800000000e+04 4.3659041553e-03 5.2640625000e-01
29 -4.5549983777e-01 6.6738813846e-01 -1.1965904297e+00 7.4109059191e-01 -1.1965904297e+00 1.2800000000e+04 4.3767919629e-03 5.3054687500e-01
30 -4.8945949563e-01 1.3116934450e+00 -1.2639193086e+00 7.7445981299e-01 -1.2639193086e+00 1.2800000000e+04 4.3680960059e-03 5.3140625000e-01
31 -4.5716211197e-01 6.8178958231e-01 -1.2040158206e+00 7.4685370862e-01 -1.2040158206e+00 1.2800000000e+04 4.3884058008e-03 5.3984375000e-01
32 -4.3951829919e-01 5.2218974705e-01 -1.2091814557e+00 7.6966315648e-01 -1.2091814557e+00 1.2800000000e+04 4.3580890039e-03 5.2273437500e-01
33 -4.3789516573e-01 4.7618203173e-01 -1.1686949435e+00 7.3079977778e-01 -1.1686949435e+00 1.2800000000e+04 4.3810579541e-03 5.3453125000e-01
34 -4.6695564581e-01 6.0298027072e-01 -1.2244494564e+00 7.5749381064e-01 -1.2244494564e+00 1.2800000000e+04 4.3712046875e-03 5.2960937500e-01
35 -5.1554777894e-01 2.0523152706e+00 -1.2290573905e+00 7.1350961155e-01 -1.2290573905e+00 1.2800000000e+04 4.3910857324e-03 5.4359375000e-01
36 -4.8260564461e-01 6.6104724116e-01 -1.2497933788e+00 7.6718773414e-01 -1.2497933788e+00 1.2800000000e+04 4.3777349756e-03 5.3335937500e-01
37 -4.5456582030e-01 5.2430266627e-01 -1.1704120540e+00 7.1584623371e-01 -1.1704120540e+00 1.2800000000e+04 4.3890272314e-03 5.4164062500e-01
38 -4.1653712467e-01 5.3216823655e-01 -1.1475173185e+00 7.3098019380e-01 -1.1475173185e+00 1.2800000000e+04 4.3808461621e-03 5.3625000000e-01
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453 -4.3875660034e-01 4.8624127326e-01 -1.1680300074e+00 7.2927340707e-01 -1.1680300074e+00 1.2800000000e+04 4.3864835205e-03 5.3992187500e-01
454 -4.3145482433e-01 4.6743186132e-01 -1.1682006614e+00 7.3674583711e-01 -1.1682006614e+00 1.2800000000e+04 4.3851946484e-03 5.3757812500e-01
455 -4.3045434731e-01 5.2768236578e-01 -1.2056690333e+00 7.7521468604e-01 -1.2056690333e+00 1.2800000000e+04 4.3726000732e-03 5.2882812500e-01
456 -4.3708708222e-01 4.6469818109e-01 -1.1806226712e+00 7.4353558901e-01 -1.1806226712e+00 1.2800000000e+04 4.3796049658e-03 5.3570312500e-01
457 -4.5751050869e-01 6.6238170279e-01 -1.2053923074e+00 7.4788179869e-01 -1.2053923074e+00 1.2800000000e+04 4.3701680566e-03 5.3171875000e-01
458 -4.6370306420e-01 6.5384793993e-01 -1.2356037953e+00 7.7190073113e-01 -1.2356037953e+00 1.2800000000e+04 4.3673146777e-03 5.2960937500e-01
459 -4.5730850457e-01 5.6162082603e-01 -1.1816975413e+00 7.2438903677e-01 -1.1816975413e+00 1.2800000000e+04 4.3879735986e-03 5.3718750000e-01
460 -4.5370721047e-01 5.2561516860e-01 -1.1768987112e+00 7.2319150078e-01 -1.1768987112e+00 1.2800000000e+04 4.3698616406e-03 5.2828125000e-01
461 -4.5098457554e-01 8.4625795703e-01 -1.1852869448e+00 7.3430236925e-01 -1.1852869448e+00 1.2800000000e+04 4.3806064062e-03 5.3265625000e-01
462 -4.4332319661e-01 6.2108852239e-01 -1.1963607481e+00 7.5303755150e-01 -1.1963607481e+00 1.2800000000e+04 4.3694435303e-03 5.2929687500e-01
463 -4.3126050819e-01 4.5149759960e-01 -1.1607066437e+00 7.2944613551e-01 -1.1607066437e+00 1.2800000000e+04 4.3919903076e-03 5.4140625000e-01
464 -4.6146989642e-01 7.7655759169e-01 -1.1900662923e+00 7.2859639588e-01 -1.1900662923e+00 1.2800000000e+04 4.3710065186e-03 5.2976562500e-01
465 -4.3909911803e-01 5.0384593582e-01 -1.2046995236e+00 7.6560040556e-01 -1.2046995236e+00 1.2800000000e+04 4.3729888574e-03 5.2804687500e-01
466 -4.5267986855e-01 5.9594279558e-01 -1.1973850852e+00 7.4470521666e-01 -1.1973850852e+00 1.2800000000e+04 4.3880083447e-03 5.3812500000e-01
467 -4.5401878124e-01 6.1231529929e-01 -1.2096526957e+00 7.5563391442e-01 -1.2096526957e+00 1.2800000000e+04 4.3721836328e-03 5.2804687500e-01
468 -4.3402900791e-01 4.4720344999e-01 -1.1468189162e+00 7.1278990827e-01 -1.1468189162e+00 1.2800000000e+04 4.3945543262e-03 5.4242187500e-01
469 -4.5940868840e-01 5.1906762003e-01 -1.1619484992e+00 7.0253981077e-01 -1.1619484992e+00 1.2800000000e+04 4.3902299414e-03 5.3976562500e-01
470 -4.7560788822e-01 6.4318532230e-01 -1.1978991717e+00 7.2229128351e-01 -1.1978991717e+00 1.2800000000e+04 4.3809943213e-03 5.3734375000e-01
471 -4.4507395041e-01 5.6206567203e-01 -1.1639611848e+00 7.1888723440e-01 -1.1639611848e+00 1.2800000000e+04 4.3920138379e-03 5.4000000000e-01
472 -4.4971727855e-01 4.9921260292e-01 -1.1699123404e+00 7.2019506183e-01 -1.1699123404e+00 1.2800000000e+04 4.3988386475e-03 5.4375000000e-01
473 -4.6259104166e-01 7.4443977868e-01 -1.2068875337e+00 7.4429649204e-01 -1.2068875337e+00 1.2800000000e+04 4.3742368701e-03 5.3453125000e-01
474 -4.6188818343e-01 5.9600103434e-01 -1.2154188085e+00 7.5353062503e-01 -1.2154188085e+00 1.2800000000e+04 4.3787426709e-03 5.3210937500e-01
475 -4.6774863080e-01 1.0454890388e+00 -1.1769938867e+00 7.0924525595e-01 -1.1769938867e+00 1.2800000000e+04 4.3920903955e-03 5.4210937500e-01
476 -4.6679486149e-01 1.0498441558e+00 -1.1915894450e+00 7.2479458355e-01 -1.1915894450e+00 1.2800000000e+04 4.3977301221e-03 5.4203125000e-01
477 -5.0854846865e-01 3.9175161686e+00 -1.2266975641e+00 7.1814909544e-01 -1.2266975641e+00 1.2800000000e+04 4.3996468848e-03 5.4500000000e-01
478 -4.2865142803e-01 4.2955362336e-01 -1.1414880943e+00 7.1283666627e-01 -1.1414880943e+00 1.2800000000e+04 4.3987012158e-03 5.4406250000e-01
479 -4.5206767741e-01 4.5874201425e-01 -1.1604217029e+00 7.0835402545e-01 -1.1604217029e+00 1.2800000000e+04 4.3899118311e-03 5.4320312500e-01
480 -4.3587681395e-01 4.8067513288e-01 -1.1355582687e+00 6.9968145479e-01 -1.1355582687e+00 1.2800000000e+04 4.3955453906e-03 5.4195312500e-01
481 -4.4518254053e-01 5.8828067082e-01 -1.2007624141e+00 7.5557987359e-01 -1.2007624141e+00 1.2800000000e+04 4.3738556836e-03 5.3234375000e-01
482 -4.5716373692e-01 5.5032031383e-01 -1.2088374709e+00 7.5167373402e-01 -1.2088374709e+00 1.2800000000e+04 4.3674104932e-03 5.2914062500e-01
483 -4.6018513444e-01 6.1521826950e-01 -1.2114686490e+00 7.5128351454e-01 -1.2114686490e+00 1.2800000000e+04 4.3726949854e-03 5.3281250000e-01
484 -4.6063856929e-01 5.2727892209e-01 -1.1630679180e+00 7.0242934876e-01 -1.1630679180e+00 1.2800000000e+04 4.4041859912e-03 5.4984375000e-01
485 -4.5916381906e-01 6.9760994776e-01 -1.1533007035e+00 6.9413688442e-01 -1.1533007035e+00 1.2800000000e+04 4.4023955029e-03 5.4468750000e-01
486 -4.6802707246e-01 9.8030830339e-01 -1.2432508900e+00 7.7522381755e-01 -1.2432508900e+00 1.2800000000e+04 4.3735351904e-03 5.2812500000e-01
487 -4.6631275466e-01 5.8761413880e-01 -1.1929643212e+00 7.2665156659e-01 -1.1929643212e+00 1.2800000000e+04 4.3989513477e-03 5.4515625000e-01
488 -4.5445398040e-01 5.7985042263e-01 -1.1916292811e+00 7.3717530068e-01 -1.1916292811e+00 1.2800000000e+04 4.3854098779e-03 5.3750000000e-01
489 -4.5852080159e-01 5.6300112986e-01 -1.1668107483e+00 7.0828994670e-01 -1.1668107483e+00 1.2800000000e+04 4.3981267529e-03 5.4328125000e-01
490 -4.4004745615e-01 5.2240458415e-01 -1.1849283790e+00 7.4488092286e-01 -1.1849283790e+00 1.2800000000e+04 4.3669362695e-03 5.2750000000e-01
491 -4.6209652245e-01 5.8006977340e-01 -1.1514096175e+00 6.8931309503e-01 -1.1514096175e+00 1.2800000000e+04 4.3985585352e-03 5.4296875000e-01
492 -4.6044651339e-01 1.2610273136e+00 -1.1636746007e+00 7.0322808735e-01 -1.1636746007e+00 1.2800000000e+04 4.3895158496e-03 5.4351562500e-01
493 -4.4659438055e-01 4.6215116980e-01 -1.1456428370e+00 6.9904845649e-01 -1.1456428370e+00 1.2800000000e+04 4.4024140381e-03 5.4796875000e-01
494 -4.4688887591e-01 5.2373656705e-01 -1.1800438593e+00 7.3315498337e-01 -1.1800438593e+00 1.2800000000e+04 4.3860233105e-03 5.3835937500e-01
495 -4.3848521894e-01 4.8620703931e-01 -1.1717586521e+00 7.3327343315e-01 -1.1717586521e+00 1.2800000000e+04 4.3881223242e-03 5.3601562500e-01
496 -4.3934127644e-01 4.4626512368e-01 -1.1710170467e+00 7.3167577022e-01 -1.1710170467e+00 1.2800000000e+04 4.3755954102e-03 5.2968750000e-01
497 -4.6652687126e-01 6.2312927633e-01 -1.1957243508e+00 7.2919747951e-01 -1.1957243508e+00 1.2800000000e+04 4.4061583838e-03 5.4671875000e-01
498 -4.3849604132e-01 4.7981692278e-01 -1.1324883387e+00 6.9399229742e-01 -1.1324883387e+00 1.2800000000e+04 4.3990689258e-03 5.5000000000e-01
499 -4.7723911361e-01 7.9959487295e-01 -1.1958023552e+00 7.1856324159e-01 -1.1958023552e+00 1.2800000000e+04 4.3900603174e-03 5.4109375000e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s004.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.6339434543e-01 7.5971197571e-01 -1.1821065282e+00 7.1871218272e-01 -1.1821065282e+00 1.2800000000e+04 4.7013509375e-03 7.3382812500e-01
1 -4.4166929220e-01 5.1599750805e-01 -1.1921934771e+00 7.5052418485e-01 -1.1921934771e+00 1.2800000000e+04 4.7052920508e-03 7.3437500000e-01
2 -4.4494049552e-01 6.1158568224e-01 -1.1974693572e+00 7.5252886172e-01 -1.1974693572e+00 1.2800000000e+04 4.7015641650e-03 7.3546875000e-01
3 -4.6271066970e-01 6.4692860791e-01 -1.1750828125e+00 7.1237214280e-01 -1.1750828125e+00 1.2800000000e+04 4.7217791016e-03 7.4476562500e-01
4 -4.5356990465e-01 7.7739860527e-01 -1.1778017977e+00 7.2423189302e-01 -1.1778017977e+00 1.2800000000e+04 4.7038572168e-03 7.3664062500e-01
5 -4.4951334119e-01 6.0179358859e-01 -1.1830743398e+00 7.3356099863e-01 -1.1830743398e+00 1.2800000000e+04 4.6897504150e-03 7.2421875000e-01
6 -4.4267953476e-01 4.8125910393e-01 -1.1766682980e+00 7.3398876329e-01 -1.1766682980e+00 1.2800000000e+04 4.7006863965e-03 7.3242187500e-01
7 -4.4927492030e-01 5.9008495886e-01 -1.2292000466e+00 7.7992512630e-01 -1.2292000466e+00 1.2800000000e+04 4.6952933398e-03 7.3093750000e-01
8 -4.3511020374e-01 5.3791709970e-01 -1.2218851301e+00 7.8677492639e-01 -1.2218851301e+00 1.2800000000e+04 4.6821097412e-03 7.2132812500e-01
9 -4.5911036554e-01 8.6396047264e-01 -1.1747807616e+00 7.1567039609e-01 -1.1747807616e+00 1.2800000000e+04 4.7191079199e-03 7.3937500000e-01
10 -4.5034860612e-01 7.3707307481e-01 -1.1663935756e+00 7.1604496948e-01 -1.1663935756e+00 1.2800000000e+04 4.7134410059e-03 7.4031250000e-01
11 -4.4312470858e-01 4.6592786015e-01 -1.1688580790e+00 7.2573337040e-01 -1.1688580790e+00 1.2800000000e+04 4.7012822949e-03 7.3632812500e-01
12 -4.5134912767e-01 5.5412200990e-01 -1.1739701320e+00 7.2262100432e-01 -1.1739701320e+00 1.2800000000e+04 4.6972265723e-03 7.3375000000e-01
13 -4.5852936395e-01 6.7142819547e-01 -1.1520364105e+00 6.9350704651e-01 -1.1520364105e+00 1.2800000000e+04 4.7127912305e-03 7.4164062500e-01
14 -4.7582680100e-01 9.7316348186e-01 -1.2357505359e+00 7.5992373495e-01 -1.2357505359e+00 1.2800000000e+04 4.6900635742e-03 7.2507812500e-01
15 -4.5964692884e-01 5.7095081352e-01 -1.1689895936e+00 7.0934266476e-01 -1.1689895936e+00 1.2800000000e+04 4.7173368604e-03 7.4125000000e-01
16 -4.5036174129e-01 7.0118891687e-01 -1.2010071590e+00 7.5064541776e-01 -1.2010071590e+00 1.2800000000e+04 4.7017370166e-03 7.3148437500e-01
17 -4.5720273425e-01 6.7825465618e-01 -1.1819453546e+00 7.2474262032e-01 -1.1819453546e+00 1.2800000000e+04 4.8109625293e-03 7.2578125000e-01
18 -4.4901407685e-01 5.1231660206e-01 -1.1667642005e+00 7.1775012368e-01 -1.1667642005e+00 1.2800000000e+04 4.7189526855e-03 7.3328125000e-01
19 -4.4312774018e-01 5.6254949927e-01 -1.1875571740e+00 7.4442943382e-01 -1.1875571740e+00 1.2800000000e+04 4.7018216602e-03 7.3031250000e-01
20 -4.4603793792e-01 5.3753692992e-01 -1.1586192981e+00 7.1258136016e-01 -1.1586192981e+00 1.2800000000e+04 4.7091992236e-03 7.3765625000e-01
21 -4.3963085042e-01 5.5844744155e-01 -1.1802039896e+00 7.4057313919e-01 -1.1802039896e+00 1.2800000000e+04 4.7096805664e-03 7.3679687500e-01
22 -4.7172194074e-01 7.8504669960e-01 -1.2086576139e+00 7.3693567316e-01 -1.2086576139e+00 1.2800000000e+04 4.6953599023e-03 7.3179687500e-01
23 -4.4591854224e-01 5.5433590064e-01 -1.1819537608e+00 7.3603521852e-01 -1.1819537608e+00 1.2800000000e+04 4.6990092529e-03 7.3765625000e-01
24 -4.6023839885e-01 7.0647616311e-01 -1.2207429639e+00 7.6050456508e-01 -1.2207429639e+00 1.2800000000e+04 4.7017201611e-03 7.3257812500e-01
25 -4.7705415717e-01 8.9957762989e-01 -1.2282700675e+00 7.5121591036e-01 -1.2282700675e+00 1.2800000000e+04 4.6927401123e-03 7.2828125000e-01
26 -4.3211658296e-01 5.0303203210e-01 -1.1726393425e+00 7.4052275950e-01 -1.1726393425e+00 1.2800000000e+04 4.7019971094e-03 7.3296875000e-01
27 -4.3361736974e-01 4.9118466961e-01 -1.1831976006e+00 7.4958023085e-01 -1.1831976006e+00 1.2800000000e+04 4.6944488672e-03 7.2890625000e-01
28 -4.6914136919e-01 8.1887786614e-01 -1.1856214634e+00 7.1648009426e-01 -1.1856214634e+00 1.2800000000e+04 4.7065994141e-03 7.3242187500e-01
29 -4.5909263512e-01 6.5843850531e-01 -1.2246430212e+00 7.6555038611e-01 -1.2246430212e+00 1.2800000000e+04 4.6854890234e-03 7.2328125000e-01
30 -4.4038126295e-01 4.9129895507e-01 -1.1774684924e+00 7.3708722947e-01 -1.1774684924e+00 1.2800000000e+04 4.7057615186e-03 7.3671875000e-01
31 -4.6061477007e-01 8.1353551477e-01 -1.2078326961e+00 7.4721792599e-01 -1.2078326961e+00 1.2800000000e+04 4.6962066797e-03 7.2710937500e-01
32 -4.4487667384e-01 4.8275257364e-01 -1.1728539533e+00 7.2797727942e-01 -1.1728539533e+00 1.2800000000e+04 4.7121849023e-03 7.3914062500e-01
33 -4.5480479006e-01 8.2299004633e-01 -1.1689323474e+00 7.1412755734e-01 -1.1689323474e+00 1.2800000000e+04 4.7221455029e-03 7.4562500000e-01
34 -4.4830574508e-01 5.8726868272e-01 -1.1737422930e+00 7.2543654788e-01 -1.1737422930e+00 1.2800000000e+04 4.7093797559e-03 7.3757812500e-01
35 -4.6499857524e-01 6.5135864062e-01 -1.2035492431e+00 7.3855066787e-01 -1.2035492431e+00 1.2800000000e+04 4.7049265381e-03 7.3437500000e-01
36 -4.4657829698e-01 6.3404148447e-01 -1.1936027712e+00 7.4702447426e-01 -1.1936027712e+00 1.2800000000e+04 4.7006854688e-03 7.3125000000e-01
37 -4.6942371581e-01 8.7461543965e-01 -1.1819966033e+00 7.1257288745e-01 -1.1819966033e+00 1.2800000000e+04 4.7013867578e-03 7.3843750000e-01
38 -4.6585625942e-01 6.6069718013e-01 -1.2117760799e+00 7.4591982048e-01 -1.2117760799e+00 1.2800000000e+04 4.7088131152e-03 7.3359375000e-01
39 -4.3350148407e-01 4.5696716201e-01 -1.1525046279e+00 7.1900314385e-01 -1.1525046279e+00 1.2800000000e+04 4.6973686523e-03 7.3125000000e-01
40 -4.4870727137e-01 5.9268817558e-01 -1.2106563900e+00 7.6194911859e-01 -1.2106563900e+00 1.2800000000e+04 4.6876437793e-03 7.2523437500e-01
41 -4.5659765185e-01 5.8089438062e-01 -1.1680559912e+00 7.1145833931e-01 -1.1680559912e+00 1.2800000000e+04 4.7073926953e-03 7.3632812500e-01
42 -4.5459559014e-01 6.6755080684e-01 -1.2131654747e+00 7.5856988457e-01 -1.2131654747e+00 1.2800000000e+04 4.6756499561e-03 7.2226562500e-01
43 -4.5275747920e-01 5.8556601250e-01 -1.1686575731e+00 7.1590009390e-01 -1.1686575731e+00 1.2800000000e+04 4.7056958301e-03 7.3648437500e-01
44 -4.4472393908e-01 5.8976408130e-01 -1.1839053598e+00 7.3918142075e-01 -1.1839053598e+00 1.2800000000e+04 4.7044235449e-03 7.3257812500e-01
45 -4.3869266575e-01 4.9784784539e-01 -1.1935302937e+00 7.5483762792e-01 -1.1935302937e+00 1.2800000000e+04 4.6987145020e-03 7.2796875000e-01
46 -4.7155254288e-01 8.7340652880e-01 -1.2401206038e+00 7.6856806088e-01 -1.2401206038e+00 1.2800000000e+04 4.7030352783e-03 7.3039062500e-01
47 -4.4757485110e-01 5.3030498408e-01 -1.2104265337e+00 7.6285168262e-01 -1.2104265337e+00 1.2800000000e+04 4.6743847852e-03 7.1953125000e-01
48 -4.3221054820e-01 5.5926575290e-01 -1.2109031748e+00 7.7869262665e-01 -1.2109031748e+00 1.2800000000e+04 4.6878653857e-03 7.2710937500e-01
49 -4.5958671762e-01 6.6401093865e-01 -1.1645286478e+00 7.0494193022e-01 -1.1645286478e+00 1.2800000000e+04 4.7039537793e-03 7.3257812500e-01
50 -4.6057662431e-01 6.1862822643e-01 -1.1886417383e+00 7.2806511403e-01 -1.1886417383e+00 1.2800000000e+04 4.7306667285e-03 7.4343750000e-01
51 -4.4636266575e-01 6.1862078669e-01 -1.2023554818e+00 7.5599281604e-01 -1.2023554818e+00 1.2800000000e+04 4.6949862061e-03 7.2546875000e-01
52 -4.3660288196e-01 5.4172757328e-01 -1.1758603773e+00 7.3925749534e-01 -1.1758603773e+00 1.2800000000e+04 4.7036282959e-03 7.3414062500e-01
53 -4.7209679951e-01 8.3202472345e-01 -1.2285468792e+00 7.5645007968e-01 -1.2285468792e+00 1.2800000000e+04 4.6873446582e-03 7.2515625000e-01
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470 -4.5309990404e-01 6.2510823194e-01 -1.1933682405e+00 7.4026833644e-01 -1.1933682405e+00 1.2800000000e+04 4.6922426611e-03 7.2976562500e-01
471 -4.4275993932e-01 7.6243262640e-01 -1.1777650388e+00 7.3500509944e-01 -1.1777650388e+00 1.2800000000e+04 4.7052786621e-03 7.3148437500e-01
472 -4.5144716664e-01 6.4324807273e-01 -1.1973436516e+00 7.4589648493e-01 -1.1973436516e+00 1.2800000000e+04 4.7000445947e-03 7.3304687500e-01
473 -4.4196141877e-01 5.7529188258e-01 -1.1785243580e+00 7.3656293922e-01 -1.1785243580e+00 1.2800000000e+04 4.7196960107e-03 7.3937500000e-01
474 -4.4011412298e-01 4.6787576308e-01 -1.1402594528e+00 7.0014532978e-01 -1.1402594528e+00 1.2800000000e+04 4.7129405713e-03 7.4039062500e-01
475 -4.8100961770e-01 9.9387040052e-01 -1.2126912031e+00 7.3168158540e-01 -1.2126912031e+00 1.2800000000e+04 4.7021913477e-03 7.3093750000e-01
476 -4.4492080609e-01 5.4405896949e-01 -1.1829031357e+00 7.3798232959e-01 -1.1829031357e+00 1.2800000000e+04 4.7051028320e-03 7.3242187500e-01
477 -4.7122597277e-01 9.9956751667e-01 -1.1894318639e+00 7.1820589116e-01 -1.1894318639e+00 1.2800000000e+04 4.7098592285e-03 7.3500000000e-01
478 -4.5215148237e-01 5.4488057586e-01 -1.1912264564e+00 7.3907497403e-01 -1.1912264564e+00 1.2800000000e+04 4.7033879834e-03 7.2992187500e-01
479 -4.5999376029e-01 5.6234574118e-01 -1.2029407754e+00 7.4294701507e-01 -1.2029407754e+00 1.2800000000e+04 4.7055158301e-03 7.3726562500e-01
480 -4.5577662907e-01 5.1590090189e-01 -1.1626969307e+00 7.0692030165e-01 -1.1626969307e+00 1.2800000000e+04 4.7008063330e-03 7.3445312500e-01
481 -4.5296441425e-01 4.9150804237e-01 -1.1616713071e+00 7.0870689290e-01 -1.1616713071e+00 1.2800000000e+04 4.7200176563e-03 7.4289062500e-01
482 -4.4839737328e-01 5.5020051141e-01 -1.1539636896e+00 7.0556631629e-01 -1.1539636896e+00 1.2800000000e+04 4.7120228125e-03 7.3718750000e-01
483 -4.5792397806e-01 1.6951591364e+00 -1.2345994046e+00 7.7667542653e-01 -1.2345994046e+00 1.2800000000e+04 4.7011484521e-03 7.2812500000e-01
484 -4.5256295294e-01 5.7717595873e-01 -1.1655204142e+00 7.1295746122e-01 -1.1655204142e+00 1.2800000000e+04 4.6983802588e-03 7.3375000000e-01
485 -4.5298416073e-01 5.1616297619e-01 -1.1816467983e+00 7.2866263760e-01 -1.1816467983e+00 1.2800000000e+04 4.6981683154e-03 7.3257812500e-01
486 -4.5391680229e-01 6.8892184910e-01 -1.2012012295e+00 7.4728442725e-01 -1.2012012295e+00 1.2800000000e+04 4.6905199121e-03 7.2742187500e-01
487 -4.5943219797e-01 9.7196149865e-01 -1.1622087557e+00 7.0277655770e-01 -1.1622087557e+00 1.2800000000e+04 4.7175390283e-03 7.4046875000e-01
488 -4.6778758132e-01 1.4896077693e+00 -1.2350864367e+00 7.6729885533e-01 -1.2350864367e+00 1.2800000000e+04 4.7005304492e-03 7.2781250000e-01
489 -4.9347825977e-01 1.2980042378e+00 -1.2415760529e+00 7.4809779316e-01 -1.2415760529e+00 1.2800000000e+04 4.7042043018e-03 7.3531250000e-01
490 -4.6336564086e-01 9.6922887793e-01 -1.2022346537e+00 7.3886901281e-01 -1.2022346537e+00 1.2800000000e+04 4.6943895801e-03 7.3265625000e-01
491 -4.5871602671e-01 1.5356481976e+00 -1.2164897726e+00 7.5777374585e-01 -1.2164897726e+00 1.2800000000e+04 4.6950119434e-03 7.2953125000e-01
492 -4.3329439022e-01 4.4013652784e-01 -1.1658177732e+00 7.3252338296e-01 -1.1658177732e+00 1.2800000000e+04 4.7044845996e-03 7.3484375000e-01
493 -4.6587278667e-01 6.2849819011e-01 -1.1920335155e+00 7.2616072881e-01 -1.1920335155e+00 1.2800000000e+04 4.7169804834e-03 7.3734375000e-01
494 -4.6865010646e-01 2.2782747406e+00 -1.2152782753e+00 7.4662816879e-01 -1.2152782753e+00 1.2800000000e+04 4.6894464160e-03 7.2554687500e-01
495 -4.6688642887e-01 6.7649024569e-01 -1.1959636424e+00 7.2907721354e-01 -1.1959636424e+00 1.2800000000e+04 4.6979475488e-03 7.3093750000e-01
496 -4.4564922298e-01 7.1613380932e-01 -1.1677799066e+00 7.2213068365e-01 -1.1677799066e+00 1.2800000000e+04 4.7122044238e-03 7.4007812500e-01
497 -4.4795544028e-01 6.4673616415e-01 -1.1995197372e+00 7.5156429696e-01 -1.1995197372e+00 1.2800000000e+04 4.6864587793e-03 7.2773437500e-01
498 -4.5617308036e-01 7.1614022885e-01 -1.2199136105e+00 7.6374053013e-01 -1.2199136105e+00 1.2800000000e+04 4.6804982520e-03 7.2351562500e-01
499 -4.6389152496e-01 6.2193047683e-01 -1.2037021832e+00 7.3981065823e-01 -1.2037021832e+00 1.2800000000e+04 4.7032807422e-03 7.2835937500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s005.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5665357902e-01 6.5456058444e-01 -1.2114515624e+00 7.5479798334e-01 -1.2114515624e+00 1.2800000000e+04 4.9906114990e-03 8.9859375000e-01
1 -4.5805661022e-01 7.4978590868e-01 -1.1815520465e+00 7.2349543629e-01 -1.1815520465e+00 1.2800000000e+04 5.0008135400e-03 9.0601562500e-01
2 -4.3859316425e-01 5.9722438860e-01 -1.2097983156e+00 7.7120515134e-01 -1.2097983156e+00 1.2800000000e+04 4.9835729150e-03 8.9539062500e-01
3 -4.5782948514e-01 5.5325548447e-01 -1.1688646193e+00 7.1103513411e-01 -1.1688646193e+00 1.2800000000e+04 5.0014882764e-03 9.0601562500e-01
4 -4.6292643442e-01 7.6512096456e-01 -1.1775207510e+00 7.1459431661e-01 -1.1775207510e+00 1.2800000000e+04 4.9865863281e-03 9.0218750000e-01
5 -4.4434745495e-01 5.5809911762e-01 -1.2003843896e+00 7.5603693462e-01 -1.2003843896e+00 1.2800000000e+04 4.9851688525e-03 9.0203125000e-01
6 -4.5551913429e-01 6.8857682145e-01 -1.2238622388e+00 7.6834310456e-01 -1.2238622388e+00 1.2800000000e+04 4.9993330811e-03 9.0195312500e-01
7 -4.3863639920e-01 5.1786181192e-01 -1.1830251433e+00 7.4438874405e-01 -1.1830251433e+00 1.2800000000e+04 5.0100106348e-03 9.0828125000e-01
8 -4.5066564867e-01 4.9343410748e-01 -1.1730848040e+00 7.2241915529e-01 -1.1730848040e+00 1.2800000000e+04 4.9999792578e-03 9.0304687500e-01
9 -4.5723796988e-01 6.3975704429e-01 -1.1979695300e+00 7.4073156010e-01 -1.1979695300e+00 1.2800000000e+04 5.0024250146e-03 9.0515625000e-01
10 -4.4925853088e-01 6.0959580345e-01 -1.1912680836e+00 7.4200955273e-01 -1.1912680836e+00 1.2800000000e+04 4.9812933350e-03 9.0250000000e-01
11 -4.6249706578e-01 7.3024848662e-01 -1.1715308620e+00 7.0903379625e-01 -1.1715308620e+00 1.2800000000e+04 4.9999287256e-03 9.0460937500e-01
12 -4.6296074514e-01 9.3118904406e-01 -1.1669926533e+00 7.0403190813e-01 -1.1669926533e+00 1.2800000000e+04 4.9975044043e-03 9.0765625000e-01
13 -4.5918681076e-01 6.4687504749e-01 -1.1859595619e+00 7.2677275113e-01 -1.1859595619e+00 1.2800000000e+04 5.0107712451e-03 9.0710937500e-01
14 -4.6142585465e-01 6.6624586401e-01 -1.1986234500e+00 7.3719759538e-01 -1.1986234500e+00 1.2800000000e+04 4.9887725928e-03 9.0398437500e-01
15 -4.7136810583e-01 1.3308841860e+00 -1.2025501361e+00 7.3118203028e-01 -1.2025501361e+00 1.2800000000e+04 5.0029483789e-03 9.0734375000e-01
16 -4.5346701865e-01 5.5059093021e-01 -1.1761227085e+00 7.2265568982e-01 -1.1761227085e+00 1.2800000000e+04 4.9969583447e-03 9.0343750000e-01
17 -4.6415376477e-01 7.1950897448e-01 -1.1553247226e+00 6.9117095780e-01 -1.1553247226e+00 1.2800000000e+04 4.9965586279e-03 9.0257812500e-01
18 -4.7456368334e-01 7.7187673618e-01 -1.1827284861e+00 7.0816480275e-01 -1.1827284861e+00 1.2800000000e+04 5.0022820850e-03 9.0390625000e-01
19 -4.5137949989e-01 6.5338171127e-01 -1.2068716779e+00 7.5549217804e-01 -1.2068716779e+00 1.2800000000e+04 4.9813169727e-03 8.9804687500e-01
20 -4.5211084446e-01 6.2997651885e-01 -1.1808342067e+00 7.2872336227e-01 -1.1808342067e+00 1.2800000000e+04 4.9823085693e-03 8.9898437500e-01
21 -4.5873475363e-01 6.7699310022e-01 -1.2018425066e+00 7.4310775294e-01 -1.2018425066e+00 1.2800000000e+04 5.0067606641e-03 9.0632812500e-01
22 -4.5950565350e-01 6.9246751454e-01 -1.2004056897e+00 7.4090003624e-01 -1.2004056897e+00 1.2800000000e+04 4.9950198340e-03 9.0242187500e-01
23 -4.6177982410e-01 6.9836455613e-01 -1.1976773650e+00 7.3589754089e-01 -1.1976773650e+00 1.2800000000e+04 4.9998727783e-03 9.0281250000e-01
24 -4.6566269023e-01 6.2762971045e-01 -1.1741530627e+00 7.0849037252e-01 -1.1741530627e+00 1.2800000000e+04 5.0002143066e-03 8.9937500000e-01
25 -4.5932348401e-01 7.2308153816e-01 -1.2142760225e+00 7.5495253853e-01 -1.2142760225e+00 1.2800000000e+04 4.9915540723e-03 8.9992187500e-01
26 -4.5908408967e-01 6.7091427004e-01 -1.1864536977e+00 7.2736960806e-01 -1.1864536977e+00 1.2800000000e+04 5.0046160010e-03 9.0703125000e-01
27 -4.6430617355e-01 6.2362941256e-01 -1.1785422988e+00 7.1423612520e-01 -1.1785422988e+00 1.2800000000e+04 5.0032867920e-03 9.0562500000e-01
28 -4.4309632841e-01 6.4282902486e-01 -1.1873334408e+00 7.4423711237e-01 -1.1873334408e+00 1.2800000000e+04 5.0016745215e-03 9.0414062500e-01
29 -4.6281832535e-01 8.5024614939e-01 -1.2172771563e+00 7.5445883097e-01 -1.2172771563e+00 1.2800000000e+04 5.0021695703e-03 9.0601562500e-01
30 -4.6110231688e-01 6.7319552659e-01 -1.2299512288e+00 7.6884891192e-01 -1.2299512288e+00 1.2800000000e+04 4.9869313574e-03 9.0171875000e-01
31 -4.5897926588e-01 6.5741925933e-01 -1.1895421066e+00 7.3056284072e-01 -1.1895421066e+00 1.2800000000e+04 4.9997894873e-03 9.0335937500e-01
32 -4.6520793982e-01 7.7922717051e-01 -1.1984369926e+00 7.3322905275e-01 -1.1984369926e+00 1.2800000000e+04 5.0037664111e-03 9.0609375000e-01
33 -4.5552798156e-01 7.3630425738e-01 -1.1901255584e+00 7.3459757686e-01 -1.1901255584e+00 1.2800000000e+04 4.9955892725e-03 9.0265625000e-01
34 -4.5096780455e-01 5.9004454318e-01 -1.1884714668e+00 7.3750366228e-01 -1.1884714668e+00 1.2800000000e+04 5.0057273730e-03 9.0742187500e-01
35 -4.5938794394e-01 5.8936902367e-01 -1.1766276388e+00 7.1723969489e-01 -1.1766276388e+00 1.2800000000e+04 5.0103080762e-03 9.1117187500e-01
36 -4.7120190962e-01 7.4826125129e-01 -1.1681532366e+00 6.9695132702e-01 -1.1681532366e+00 1.2800000000e+04 4.9999178906e-03 9.0046875000e-01
37 -4.4652898471e-01 6.2167758270e-01 -1.1954969471e+00 7.4896796244e-01 -1.1954969471e+00 1.2800000000e+04 4.9919777246e-03 8.9953125000e-01
38 -4.5088028080e-01 4.8894083858e-01 -1.1325980752e+00 6.8171779442e-01 -1.1325980752e+00 1.2800000000e+04 5.0079488037e-03 9.0859375000e-01
39 -4.4959639665e-01 6.6761550016e-01 -1.1626487201e+00 7.1305232344e-01 -1.1626487201e+00 1.2800000000e+04 5.0072277002e-03 9.0953125000e-01
40 -4.6844991110e-01 7.0300577448e-01 -1.1732957923e+00 7.0484588119e-01 -1.1732957923e+00 1.2800000000e+04 4.9959175391e-03 9.0531250000e-01
41 -4.3023759395e-01 6.1713554849e-01 -1.2015313507e+00 7.7129375678e-01 -1.2015313507e+00 1.2800000000e+04 4.9812179248e-03 8.9703125000e-01
42 -4.4756866620e-01 5.9494886908e-01 -1.1954319672e+00 7.4786330104e-01 -1.1954319672e+00 1.2800000000e+04 5.0044968701e-03 9.0406250000e-01
43 -4.4907694679e-01 7.1062542358e-01 -1.2068001625e+00 7.5772321576e-01 -1.2068001625e+00 1.2800000000e+04 4.9976802686e-03 8.9953125000e-01
44 -4.5416541291e-01 7.0847980476e-01 -1.2037884133e+00 7.4962300044e-01 -1.2037884133e+00 1.2800000000e+04 4.9926072803e-03 9.0257812500e-01
45 -4.6310807889e-01 7.8409700142e-01 -1.1710394075e+00 7.0793132857e-01 -1.1710394075e+00 1.2800000000e+04 4.9864392627e-03 9.0429687500e-01
46 -4.4631413341e-01 5.0974262113e-01 -1.1573988120e+00 7.1108467859e-01 -1.1573988120e+00 1.2800000000e+04 4.9976242578e-03 9.0359375000e-01
47 -4.5235185884e-01 7.5051933068e-01 -1.1775167039e+00 7.2516484504e-01 -1.1775167039e+00 1.2800000000e+04 5.0042567725e-03 9.0390625000e-01
48 -4.3610704482e-01 5.2631734762e-01 -1.1950051439e+00 7.5889809906e-01 -1.1950051439e+00 1.2800000000e+04 5.0063082617e-03 9.0367187500e-01
49 -4.5589485700e-01 6.5744950879e-01 -1.2009875992e+00 7.4509274224e-01 -1.2009875992e+00 1.2800000000e+04 4.9993091406e-03 9.0359375000e-01
50 -4.5510056467e-01 7.2969070600e-01 -1.2220555497e+00 7.6695498505e-01 -1.2220555497e+00 1.2800000000e+04 4.9921381982e-03 9.0039062500e-01
51 -4.4770694179e-01 5.5492999409e-01 -1.2169304321e+00 7.6922349028e-01 -1.2169304321e+00 1.2800000000e+04 4.9816501172e-03 8.9937500000e-01
52 -4.5250498753e-01 5.8079427639e-01 -1.1880169373e+00 7.3551194981e-01 -1.1880169373e+00 1.2800000000e+04 5.0012132715e-03 9.0546875000e-01
53 -4.5562718188e-01 7.8778856262e-01 -1.2196267783e+00 7.6399959641e-01 -1.2196267783e+00 1.2800000000e+04 4.9914528564e-03 9.0242187500e-01
54 -4.7012451701e-01 8.0659284019e-01 -1.1910133623e+00 7.2088884529e-01 -1.1910133623e+00 1.2800000000e+04 4.9903535889e-03 9.0257812500e-01
55 -4.7091531717e-01 7.8592293701e-01 -1.2033168460e+00 7.3240152883e-01 -1.2033168460e+00 1.2800000000e+04 4.9926623828e-03 9.0546875000e-01
56 -4.5742473312e-01 6.5589947554e-01 -1.1805194944e+00 7.2309476133e-01 -1.1805194944e+00 1.2800000000e+04 4.9931038672e-03 9.0070312500e-01
57 -4.4909235734e-01 5.8238249845e-01 -1.1741306483e+00 7.2503829092e-01 -1.1741306483e+00 1.2800000000e+04 4.9906996875e-03 8.9890625000e-01
58 -4.4990616699e-01 6.1892171442e-01 -1.1971626189e+00 7.4725645190e-01 -1.1971626189e+00 1.2800000000e+04 4.9902935400e-03 9.0195312500e-01
59 -4.5974137948e-01 8.2054459916e-01 -1.1983371195e+00 7.3859574002e-01 -1.1983371195e+00 1.2800000000e+04 4.9863850146e-03 8.9960937500e-01
60 -4.5878355159e-01 7.6019979011e-01 -1.1484542679e+00 6.8967071635e-01 -1.1484542679e+00 1.2800000000e+04 5.0099515723e-03 9.1023437500e-01
61 -4.4851541809e-01 6.2068099158e-01 -1.2002737170e+00 7.5175829893e-01 -1.2002737170e+00 1.2800000000e+04 4.9958772412e-03 9.0234375000e-01
62 -4.4405907327e-01 1.0482785147e+00 -1.2428407108e+00 7.9878163756e-01 -1.2428407108e+00 1.2800000000e+04 4.9768113281e-03 8.9398437500e-01
63 -4.4271470048e-01 5.5985387325e-01 -1.2087051808e+00 7.6599048031e-01 -1.2087051808e+00 1.2800000000e+04 4.9930804346e-03 9.0210937500e-01
64 -4.7085535284e-01 5.7781520966e-01 -1.1242637509e+00 6.5340839801e-01 -1.1242637509e+00 1.2800000000e+04 5.0123351465e-03 9.1210937500e-01
65 -4.6146939028e-01 7.1925232878e-01 -1.1827055036e+00 7.2123611334e-01 -1.1827055036e+00 1.2800000000e+04 4.9876385498e-03 9.0375000000e-01
66 -4.5396812221e-01 5.7165467333e-01 -1.1470583175e+00 6.9309019530e-01 -1.1470583175e+00 1.2800000000e+04 4.9931377197e-03 9.0531250000e-01
67 -4.4551876856e-01 4.7006528841e-01 -1.1536823117e+00 7.0816354318e-01 -1.1536823117e+00 1.2800000000e+04 5.0006465674e-03 9.0523437500e-01
68 -4.6188350665e-01 5.7504432671e-01 -1.1371383487e+00 6.7525484208e-01 -1.1371383487e+00 1.2800000000e+04 4.9968945801e-03 9.0375000000e-01
69 -4.6405204952e-01 8.0480604489e-01 -1.2063993910e+00 7.4234734152e-01 -1.2063993910e+00 1.2800000000e+04 5.0038425293e-03 9.0742187500e-01
70 -4.6562573633e-01 7.4003815742e-01 -1.1951254076e+00 7.2949967125e-01 -1.1951254076e+00 1.2800000000e+04 4.9998562500e-03 9.0562500000e-01
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488 -4.3411625899e-01 6.1443839750e-01 -1.1976356732e+00 7.6351941426e-01 -1.1976356732e+00 1.2800000000e+04 4.9944278662e-03 9.0164062500e-01
489 -4.5033520904e-01 7.0850579227e-01 -1.2196110126e+00 7.6927580360e-01 -1.2196110126e+00 1.2800000000e+04 4.9879394092e-03 9.0039062500e-01
490 -4.5982138559e-01 8.0860856922e-01 -1.1971030394e+00 7.3728165379e-01 -1.1971030394e+00 1.2800000000e+04 4.9991390381e-03 9.0078125000e-01
491 -4.6605635540e-01 9.0906787398e-01 -1.2146736148e+00 7.4861725943e-01 -1.2146736148e+00 1.2800000000e+04 4.9980441846e-03 9.0382812500e-01
492 -4.4737985478e-01 6.1759347694e-01 -1.1711616518e+00 7.2378179699e-01 -1.1711616518e+00 1.2800000000e+04 5.0037627588e-03 9.0421875000e-01
493 -4.7769743090e-01 8.9651407648e-01 -1.1679277823e+00 6.9023035140e-01 -1.1679277823e+00 1.2800000000e+04 5.0086315820e-03 9.0937500000e-01
494 -4.6076550021e-01 7.4384262156e-01 -1.2169503942e+00 7.5618489402e-01 -1.2169503942e+00 1.2800000000e+04 5.0077675586e-03 9.0578125000e-01
495 -4.6047046931e-01 6.3379307916e-01 -1.1623275749e+00 7.0185710559e-01 -1.1623275749e+00 1.2800000000e+04 5.0127516748e-03 9.1000000000e-01
496 -4.5441912229e-01 8.1359199931e-01 -1.2066071476e+00 7.5218802530e-01 -1.2066071476e+00 1.2800000000e+04 5.0035800928e-03 9.0492187500e-01
497 -4.5708548472e-01 6.9919259302e-01 -1.1802893311e+00 7.2320384637e-01 -1.1802893311e+00 1.2800000000e+04 5.0008845410e-03 9.0460937500e-01
498 -4.5011897107e-01 7.0752484038e-01 -1.2210919566e+00 7.7097298557e-01 -1.2210919566e+00 1.2800000000e+04 4.9843279980e-03 8.9937500000e-01
499 -4.5466483576e-01 8.2088297472e-01 -1.2206551788e+00 7.6599034302e-01 -1.2206551788e+00 1.2800000000e+04 4.9851657812e-03 8.9859375000e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s006.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.6357362121e-01 5.1988108803e-01 -1.1406355435e+00 6.7706192232e-01 -1.1406355435e+00 1.2800000000e+04 5.1497882959e-03 9.6367187500e-01
1 -4.4339905788e-01 5.5118341595e-01 -1.1769573423e+00 7.3355828443e-01 -1.1769573423e+00 1.2800000000e+04 5.1386564551e-03 9.6039062500e-01
2 -4.6080510690e-01 7.5414946183e-01 -1.1720039517e+00 7.1119884479e-01 -1.1720039517e+00 1.2800000000e+04 5.1502166406e-03 9.6406250000e-01
3 -4.5812930345e-01 5.3530986211e-01 -1.1282646613e+00 6.7013535784e-01 -1.1282646613e+00 1.2800000000e+04 5.1443484619e-03 9.6078125000e-01
4 -4.5531858089e-01 6.2920147480e-01 -1.1512027410e+00 6.9588416009e-01 -1.1512027410e+00 1.2800000000e+04 5.1531999951e-03 9.6453125000e-01
5 -4.5802147638e-01 6.2710562923e-01 -1.2066583381e+00 7.4863686170e-01 -1.2066583381e+00 1.2800000000e+04 5.1387178125e-03 9.6078125000e-01
6 -4.4699353957e-01 6.8995873049e-01 -1.1816875693e+00 7.3469402976e-01 -1.1816875693e+00 1.2800000000e+04 5.1394283984e-03 9.6000000000e-01
7 -4.5407079270e-01 6.4201195434e-01 -1.1761812747e+00 7.2211048199e-01 -1.1761812747e+00 1.2800000000e+04 5.1290491064e-03 9.5867187500e-01
8 -4.5168908929e-01 8.0746041751e-01 -1.2023342667e+00 7.5064517739e-01 -1.2023342667e+00 1.2800000000e+04 5.1346914697e-03 9.5968750000e-01
9 -4.4661592393e-01 6.4573148322e-01 -1.1828363694e+00 7.3622044551e-01 -1.1828363694e+00 1.2800000000e+04 5.1447705029e-03 9.6226562500e-01
10 -4.6454869392e-01 7.4166299277e-01 -1.1942594038e+00 7.2971070985e-01 -1.1942594038e+00 1.2800000000e+04 5.1353604102e-03 9.5976562500e-01
11 -4.5876243460e-01 5.9877329309e-01 -1.1671916259e+00 7.0842919130e-01 -1.1671916259e+00 1.2800000000e+04 5.1519165039e-03 9.6390625000e-01
12 -4.5311304410e-01 6.4272716267e-01 -1.2106136947e+00 7.5750065063e-01 -1.2106136947e+00 1.2800000000e+04 5.1291885205e-03 9.5796875000e-01
13 -4.6402767737e-01 6.4906516649e-01 -1.1582752212e+00 6.9424754378e-01 -1.1582752212e+00 1.2800000000e+04 5.1460876172e-03 9.6265625000e-01
14 -4.6156246001e-01 1.0091593999e+00 -1.1690236752e+00 7.0746121517e-01 -1.1690236752e+00 1.2800000000e+04 5.1527595996e-03 9.6429687500e-01
15 -4.4621139536e-01 6.3484824494e-01 -1.1735840153e+00 7.2737261994e-01 -1.1735840153e+00 1.2800000000e+04 5.1471326221e-03 9.6164062500e-01
16 -4.5686524579e-01 5.6098662590e-01 -1.1640403571e+00 7.0717511135e-01 -1.1640403571e+00 1.2800000000e+04 5.1402768896e-03 9.6117187500e-01
17 -4.4434449453e-01 5.6893999722e-01 -1.1912250804e+00 7.4688058587e-01 -1.1912250804e+00 1.2800000000e+04 5.1461838477e-03 9.6226562500e-01
18 -4.6500951844e-01 1.3017291637e+00 -1.2519454022e+00 7.8693588378e-01 -1.2519454022e+00 1.2800000000e+04 5.1339643018e-03 9.5937500000e-01
19 -4.7015206161e-01 6.6244548588e-01 -1.1661171937e+00 6.9596513212e-01 -1.1661171937e+00 1.2800000000e+04 5.1630856104e-03 9.6609375000e-01
20 -4.5279536099e-01 8.2060365112e-01 -1.2317843686e+00 7.7898900758e-01 -1.2317843686e+00 1.2800000000e+04 5.1381114111e-03 9.6039062500e-01
21 -4.4456275359e-01 7.7897680470e-01 -1.2312067818e+00 7.8664402817e-01 -1.2312067818e+00 1.2800000000e+04 5.1398327832e-03 9.6085937500e-01
22 -4.4814531108e-01 6.5583532639e-01 -1.2162613498e+00 7.6811603875e-01 -1.2162613498e+00 1.2800000000e+04 5.1328860254e-03 9.5953125000e-01
23 -4.6879351019e-01 7.3691612270e-01 -1.2058374312e+00 7.3704392101e-01 -1.2058374312e+00 1.2800000000e+04 5.1436815674e-03 9.5968750000e-01
24 -4.4237254805e-01 5.3700900713e-01 -1.1723532853e+00 7.2998073725e-01 -1.1723532853e+00 1.2800000000e+04 5.1382998291e-03 9.6023437500e-01
25 -4.6340947445e-01 6.6845566073e-01 -1.2023014679e+00 7.3889199346e-01 -1.2023014679e+00 1.2800000000e+04 5.1399894580e-03 9.5898437500e-01
26 -4.4548261668e-01 5.7897862129e-01 -1.2042698094e+00 7.5878719269e-01 -1.2042698094e+00 1.2800000000e+04 5.1369397119e-03 9.6125000000e-01
27 -4.5708056967e-01 6.2662587539e-01 -1.1679258900e+00 7.1084532034e-01 -1.1679258900e+00 1.2800000000e+04 5.1505158301e-03 9.6421875000e-01
28 -4.6088626873e-01 9.2457417742e-01 -1.2179566944e+00 7.5707042565e-01 -1.2179566944e+00 1.2800000000e+04 5.1405823730e-03 9.6140625000e-01
29 -4.5681088054e-01 6.3419910754e-01 -1.1844304819e+00 7.2761960132e-01 -1.1844304819e+00 1.2800000000e+04 5.1524067920e-03 9.6367187500e-01
30 -4.5187639214e-01 6.4599570240e-01 -1.2138108328e+00 7.6193444070e-01 -1.2138108328e+00 1.2800000000e+04 5.1332763574e-03 9.5828125000e-01
31 -4.7120148907e-01 6.9243658357e-01 -1.1589878425e+00 6.8778635344e-01 -1.1589878425e+00 1.2800000000e+04 5.1574113770e-03 9.6390625000e-01
32 -4.5850970039e-01 5.3368903640e-01 -1.1474088830e+00 6.8889918261e-01 -1.1474088830e+00 1.2800000000e+04 5.1529755273e-03 9.6570312500e-01
33 -4.5409392320e-01 7.0930068005e-01 -1.2002811344e+00 7.4618721116e-01 -1.2002811344e+00 1.2800000000e+04 5.1245474609e-03 9.5679687500e-01
34 -4.5490318757e-01 5.3889589002e-01 -1.1706368496e+00 7.1573366207e-01 -1.1706368496e+00 1.2800000000e+04 5.1572560889e-03 9.6429687500e-01
35 -4.3825537347e-01 6.2461210891e-01 -1.2291783962e+00 7.9092302275e-01 -1.2291783962e+00 1.2800000000e+04 5.1318701807e-03 9.5945312500e-01
36 -4.3779131786e-01 6.4213809482e-01 -1.2293585404e+00 7.9156722250e-01 -1.2293585404e+00 1.2800000000e+04 5.1407351025e-03 9.6132812500e-01
37 -4.4228670233e-01 5.8082040723e-01 -1.2141851944e+00 7.7189849209e-01 -1.2141851944e+00 1.2800000000e+04 5.1433542432e-03 9.6187500000e-01
38 -4.6017303742e-01 6.8600902275e-01 -1.1724170973e+00 7.1224405984e-01 -1.1724170973e+00 1.2800000000e+04 5.1475240674e-03 9.6125000000e-01
39 -4.4906362211e-01 7.8144329174e-01 -1.1879349792e+00 7.3887135705e-01 -1.1879349792e+00 1.2800000000e+04 5.1372965088e-03 9.5906250000e-01
40 -4.6358685871e-01 7.9715270030e-01 -1.2010109994e+00 7.3742414069e-01 -1.2010109994e+00 1.2800000000e+04 5.1414950586e-03 9.6039062500e-01
41 -4.4767431997e-01 5.0617461203e-01 -1.1696933397e+00 7.2201901975e-01 -1.1696933397e+00 1.2800000000e+04 5.1507310205e-03 9.6406250000e-01
42 -4.6215205891e-01 7.1675437340e-01 -1.2123248704e+00 7.5017281150e-01 -1.2123248704e+00 1.2800000000e+04 5.1439795215e-03 9.6117187500e-01
43 -4.6028601907e-01 1.0742510015e+00 -1.2115251059e+00 7.5123908686e-01 -1.2115251059e+00 1.2800000000e+04 5.1408619238e-03 9.5968750000e-01
44 -4.5437004195e-01 5.7425593272e-01 -1.1669720483e+00 7.1260200633e-01 -1.1669720483e+00 1.2800000000e+04 5.1420476660e-03 9.6000000000e-01
45 -4.5144814614e-01 6.5517457035e-01 -1.1961940162e+00 7.4474587008e-01 -1.1961940162e+00 1.2800000000e+04 5.1433568945e-03 9.6132812500e-01
46 -4.5040153726e-01 5.8125325164e-01 -1.1702882425e+00 7.1988670521e-01 -1.1702882425e+00 1.2800000000e+04 5.1388817139e-03 9.6203125000e-01
47 -4.4655988741e-01 7.3355271609e-01 -1.2149011325e+00 7.6834124504e-01 -1.2149011325e+00 1.2800000000e+04 5.1345606787e-03 9.6062500000e-01
48 -4.5253050079e-01 7.5328139271e-01 -1.2265718442e+00 7.7404134337e-01 -1.2265718442e+00 1.2800000000e+04 5.1426536084e-03 9.6179687500e-01
49 -4.5075208592e-01 5.7634934706e-01 -1.1719616215e+00 7.2120953555e-01 -1.1719616215e+00 1.2800000000e+04 5.1375305566e-03 9.5953125000e-01
50 -4.6502950106e-01 1.2547428903e+00 -1.2052828959e+00 7.4025339488e-01 -1.2052828959e+00 1.2800000000e+04 5.1402814648e-03 9.6000000000e-01
51 -4.3569834751e-01 5.8400109034e-01 -1.2095987961e+00 7.7390044857e-01 -1.2095987961e+00 1.2800000000e+04 5.1318554199e-03 9.5937500000e-01
52 -4.5478945813e-01 6.1565603827e-01 -1.2089041009e+00 7.5411464273e-01 -1.2089041009e+00 1.2800000000e+04 5.1309803125e-03 9.5890625000e-01
53 -4.5918691752e-01 7.5556397495e-01 -1.1858916414e+00 7.2670472390e-01 -1.1858916414e+00 1.2800000000e+04 5.1555655029e-03 9.6367187500e-01
54 -4.5922003646e-01 7.0208635177e-01 -1.1832121604e+00 7.2399212393e-01 -1.1832121604e+00 1.2800000000e+04 5.1361143701e-03 9.5851562500e-01
55 -4.3580457117e-01 5.6097671029e-01 -1.2092703664e+00 7.7346579528e-01 -1.2092703664e+00 1.2800000000e+04 5.1468588965e-03 9.5992187500e-01
56 -4.6354833989e-01 5.5192442648e-01 -1.1560111005e+00 6.9246276062e-01 -1.1560111005e+00 1.2800000000e+04 5.1467537842e-03 9.6210937500e-01
57 -4.4014581880e-01 6.5602083497e-01 -1.2237697001e+00 7.8362388130e-01 -1.2237697001e+00 1.2800000000e+04 5.1422153174e-03 9.6203125000e-01
58 -4.5256899485e-01 6.8988554760e-01 -1.2187778861e+00 7.6620889127e-01 -1.2187778861e+00 1.2800000000e+04 5.1482346729e-03 9.6132812500e-01
59 -4.5941967403e-01 5.8612346718e-01 -1.1606069315e+00 7.0118725744e-01 -1.1606069315e+00 1.2800000000e+04 5.1421870117e-03 9.6210937500e-01
60 -4.4871683830e-01 7.2358689125e-01 -1.1981709583e+00 7.4945411996e-01 -1.1981709583e+00 1.2800000000e+04 5.1445275342e-03 9.6148437500e-01
61 -4.5222836216e-01 5.6434387571e-01 -1.1913746367e+00 7.3914627456e-01 -1.1913746367e+00 1.2800000000e+04 5.1527858545e-03 9.6304687500e-01
62 -4.4648925816e-01 5.3967683227e-01 -1.2130746803e+00 7.6658542209e-01 -1.2130746803e+00 1.2800000000e+04 5.1340528857e-03 9.5867187500e-01
63 -4.5341001375e-01 6.1301577180e-01 -1.1494919058e+00 6.9608189207e-01 -1.1494919058e+00 1.2800000000e+04 5.1424374268e-03 9.6273437500e-01
64 -4.4902704025e-01 6.4431286959e-01 -1.1762514316e+00 7.2722439133e-01 -1.1762514316e+00 1.2800000000e+04 5.1424722559e-03 9.5984375000e-01
65 -4.4650994240e-01 6.4399775980e-01 -1.1901450946e+00 7.4363515220e-01 -1.1901450946e+00 1.2800000000e+04 5.1439117725e-03 9.6156250000e-01
66 -4.5523461808e-01 5.9590496053e-01 -1.1910822593e+00 7.3584764126e-01 -1.1910822593e+00 1.2800000000e+04 5.1503594922e-03 9.6500000000e-01
67 -4.6352246641e-01 1.2361078595e+00 -1.2088855454e+00 7.4536307898e-01 -1.2088855454e+00 1.2800000000e+04 5.1419434668e-03 9.6148437500e-01
68 -4.5787573002e-01 5.8999447560e-01 -1.1666778106e+00 7.0880208059e-01 -1.1666778106e+00 1.2800000000e+04 5.1446765527e-03 9.6140625000e-01
69 -4.5915181557e-01 7.4307814934e-01 -1.1852981565e+00 7.2614634096e-01 -1.1852981565e+00 1.2800000000e+04 5.1506100928e-03 9.6375000000e-01
70 -4.5968216564e-01 6.3520069502e-01 -1.1658429514e+00 7.0616078577e-01 -1.1658429514e+00 1.2800000000e+04 5.1447856885e-03 9.6085937500e-01
71 -4.6478767899e-01 1.6884926572e+00 -1.1735862693e+00 7.0879859033e-01 -1.1735862693e+00 1.2800000000e+04 5.1347364453e-03 9.5937500000e-01
72 -4.5289949661e-01 5.0227090867e-01 -1.1351662780e+00 6.8226678136e-01 -1.1351662780e+00 1.2800000000e+04 5.1407759912e-03 9.6031250000e-01
73 -4.5988574501e-01 6.3197375005e-01 -1.2034988051e+00 7.4361306014e-01 -1.2034988051e+00 1.2800000000e+04 5.1423942871e-03 9.6101562500e-01
74 -4.5172388486e-01 8.1975995855e-01 -1.2032566085e+00 7.5153272367e-01 -1.2032566085e+00 1.2800000000e+04 5.1484743311e-03 9.6242187500e-01
75 -4.5767250757e-01 7.0666522866e-01 -1.1547423436e+00 6.9706983604e-01 -1.1547423436e+00 1.2800000000e+04 5.1432830664e-03 9.6109375000e-01
76 -4.5507144443e-01 5.8727108043e-01 -1.1880848933e+00 7.3301344887e-01 -1.1880848933e+00 1.2800000000e+04 5.1515891260e-03 9.6320312500e-01
77 -4.5261909841e-01 6.5933858688e-01 -1.2138906858e+00 7.6127158739e-01 -1.2138906858e+00 1.2800000000e+04 5.1304457031e-03 9.5875000000e-01
78 -4.4833920258e-01 5.7802256176e-01 -1.1768717628e+00 7.2853256023e-01 -1.1768717628e+00 1.2800000000e+04 5.1441856104e-03 9.6125000000e-01
79 -4.4339202059e-01 5.6282627885e-01 -1.2053293052e+00 7.6193728462e-01 -1.2053293052e+00 1.2800000000e+04 5.1404682080e-03 9.6109375000e-01
80 -4.5207029713e-01 8.1363517465e-01 -1.2301948870e+00 7.7812458988e-01 -1.2301948870e+00 1.2800000000e+04 5.1346041553e-03 9.5750000000e-01
81 -4.7543128774e-01 6.3131455826e-01 -1.1475046345e+00 6.7207334680e-01 -1.1475046345e+00 1.2800000000e+04 5.1587166699e-03 9.6507812500e-01
82 -4.6080334116e-01 6.3915416788e-01 -1.1878987910e+00 7.2709544980e-01 -1.1878987910e+00 1.2800000000e+04 5.1327562256e-03 9.5906250000e-01
83 -4.6507821354e-01 6.1623520355e-01 -1.1475930513e+00 6.8251483772e-01 -1.1475930513e+00 1.2800000000e+04 5.1536093066e-03 9.6476562500e-01
84 -4.5927911643e-01 8.0594797938e-01 -1.2026507096e+00 7.4337159315e-01 -1.2026507096e+00 1.2800000000e+04 5.1397933691e-03 9.6015625000e-01
85 -4.6905952683e-01 7.2597051835e-01 -1.1897641071e+00 7.2070458032e-01 -1.1897641071e+00 1.2800000000e+04 5.1493153125e-03 9.6218750000e-01
86 -4.6370683380e-01 7.0507889541e-01 -1.1754595383e+00 7.1175270450e-01 -1.1754595383e+00 1.2800000000e+04 5.1474028027e-03 9.6359375000e-01
87 -4.4312556144e-01 5.7665025801e-01 -1.2010969740e+00 7.5797141254e-01 -1.2010969740e+00 1.2800000000e+04 5.1433682959e-03 9.6281250000e-01
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400 -4.4908043335e-01 8.0530903443e-01 -1.1894392563e+00 7.4035882291e-01 -1.1894392563e+00 1.2800000000e+04 5.1455055762e-03 9.6179687500e-01
401 -4.5089081155e-01 6.6607169535e-01 -1.2113756630e+00 7.6048485145e-01 -1.2113756630e+00 1.2800000000e+04 5.1492929248e-03 9.6148437500e-01
402 -4.5836226778e-01 8.6160978684e-01 -1.2066920389e+00 7.4832977114e-01 -1.2066920389e+00 1.2800000000e+04 5.1335581396e-03 9.5859375000e-01
403 -4.5798380180e-01 6.4238050499e-01 -1.2300265211e+00 7.7204271927e-01 -1.2300265211e+00 1.2800000000e+04 5.1432720508e-03 9.5859375000e-01
404 -4.4025495901e-01 1.3212570878e+00 -1.1971350752e+00 7.5688011622e-01 -1.1971350752e+00 1.2800000000e+04 5.1425153760e-03 9.6062500000e-01
405 -4.5912630476e-01 6.5831877210e-01 -1.1929957380e+00 7.3386943323e-01 -1.1929957380e+00 1.2800000000e+04 5.1396063574e-03 9.5945312500e-01
406 -4.4949677688e-01 6.2369167591e-01 -1.1946448192e+00 7.4514804235e-01 -1.1946448192e+00 1.2800000000e+04 5.1378697168e-03 9.5929687500e-01
407 -4.6070888606e-01 9.6454728692e-01 -1.2256197912e+00 7.6491090510e-01 -1.2256197912e+00 1.2800000000e+04 5.1306924902e-03 9.5695312500e-01
408 -4.5288787818e-01 5.6617556873e-01 -1.1362379927e+00 6.8335011455e-01 -1.1362379927e+00 1.2800000000e+04 5.1512528223e-03 9.6382812500e-01
409 -4.3758068388e-01 5.9866834025e-01 -1.2236807287e+00 7.8610004478e-01 -1.2236807287e+00 1.2800000000e+04 5.1447085840e-03 9.6281250000e-01
410 -4.4568471501e-01 6.9980932077e-01 -1.2025402695e+00 7.5685555448e-01 -1.2025402695e+00 1.2800000000e+04 5.1331079590e-03 9.5875000000e-01
411 -4.5440276180e-01 9.0319845748e-01 -1.1969088805e+00 7.4250611873e-01 -1.1969088805e+00 1.2800000000e+04 5.1508523779e-03 9.6179687500e-01
412 -4.4635366998e-01 5.8649899930e-01 -1.1837331168e+00 7.3737944678e-01 -1.1837331168e+00 1.2800000000e+04 5.1405317139e-03 9.6125000000e-01
413 -4.4867277684e-01 5.9924569731e-01 -1.1608792142e+00 7.1220643738e-01 -1.1608792142e+00 1.2800000000e+04 5.1458603613e-03 9.6156250000e-01
414 -4.6222367574e-01 5.9822166480e-01 -1.1595300535e+00 6.9730637776e-01 -1.1595300535e+00 1.2800000000e+04 5.1396096582e-03 9.6109375000e-01
415 -4.5271710471e-01 5.7088425727e-01 -1.1776838960e+00 7.2496679133e-01 -1.1776838960e+00 1.2800000000e+04 5.1449036084e-03 9.6132812500e-01
416 -4.6266767239e-01 1.0619698979e+00 -1.1976713235e+00 7.3500365114e-01 -1.1976713235e+00 1.2800000000e+04 5.1486139502e-03 9.6328125000e-01
417 -4.3042048417e-01 6.0185584183e-01 -1.2288959063e+00 7.9847542214e-01 -1.2288959063e+00 1.2800000000e+04 5.1296039551e-03 9.5789062500e-01
418 -4.6382544887e-01 6.7227210425e-01 -1.1719471226e+00 7.0812167372e-01 -1.1719471226e+00 1.2800000000e+04 5.1467583105e-03 9.6148437500e-01
419 -4.4127025169e-01 5.7796513125e-01 -1.2130166893e+00 7.7174643763e-01 -1.2130166893e+00 1.2800000000e+04 5.1319940381e-03 9.6015625000e-01
420 -4.5458239367e-01 8.6114393867e-01 -1.2246297316e+00 7.7004733789e-01 -1.2246297316e+00 1.2800000000e+04 5.1357068311e-03 9.5742187500e-01
421 -4.5932941091e-01 6.9389100565e-01 -1.1824915974e+00 7.2316218650e-01 -1.1824915974e+00 1.2800000000e+04 5.1306828271e-03 9.5882812500e-01
422 -4.4827661755e-01 9.0778722430e-01 -1.2264466059e+00 7.7816998831e-01 -1.2264466059e+00 1.2800000000e+04 5.1491830322e-03 9.6226562500e-01
423 -4.5612570895e-01 7.7272014567e-01 -1.1662827822e+00 7.1015707329e-01 -1.1662827822e+00 1.2800000000e+04 5.1560075342e-03 9.6289062500e-01
424 -4.7185211094e-01 8.5640299882e-01 -1.1747859686e+00 7.0293385762e-01 -1.1747859686e+00 1.2800000000e+04 5.1507584521e-03 9.6367187500e-01
425 -4.5540043279e-01 6.8537265696e-01 -1.1857940503e+00 7.3039361748e-01 -1.1857940503e+00 1.2800000000e+04 5.1527613428e-03 9.6320312500e-01
426 -4.5473480618e-01 9.3985491303e-01 -1.2239172702e+00 7.6918246406e-01 -1.2239172702e+00 1.2800000000e+04 5.1424517822e-03 9.6046875000e-01
427 -4.4562375045e-01 6.4393176096e-01 -1.2337503217e+00 7.8812657121e-01 -1.2337503217e+00 1.2800000000e+04 5.1397437549e-03 9.5953125000e-01
428 -4.5388718723e-01 5.2211699220e-01 -1.1623367055e+00 7.0844951826e-01 -1.1623367055e+00 1.2800000000e+04 5.1443968066e-03 9.6171875000e-01
429 -4.5142900787e-01 9.4984285703e-01 -1.1920443180e+00 7.4061531014e-01 -1.1920443180e+00 1.2800000000e+04 5.1395310107e-03 9.6125000000e-01
430 -4.5654065776e-01 5.8492989864e-01 -1.1724253120e+00 7.1588465421e-01 -1.1724253120e+00 1.2800000000e+04 5.1512325049e-03 9.6265625000e-01
431 -4.6096916135e-01 9.1850859863e-01 -1.2093688249e+00 7.4839966356e-01 -1.2093688249e+00 1.2800000000e+04 5.1409802686e-03 9.6054687500e-01
432 -4.5313099062e-01 5.3323645382e-01 -1.1456308641e+00 6.9249987344e-01 -1.1456308641e+00 1.2800000000e+04 5.1562468555e-03 9.6437500000e-01
433 -4.4805308905e-01 5.4280325980e-01 -1.1640585065e+00 7.1600541743e-01 -1.1640585065e+00 1.2800000000e+04 5.1361468506e-03 9.5976562500e-01
434 -4.5957636100e-01 9.7274537807e-01 -1.2548765050e+00 7.9530014395e-01 -1.2548765050e+00 1.2800000000e+04 5.1347335059e-03 9.5976562500e-01
435 -4.5348703471e-01 7.8349404203e-01 -1.1701914250e+00 7.1670439034e-01 -1.1701914250e+00 1.2800000000e+04 5.1416566797e-03 9.6281250000e-01
436 -4.5828127407e-01 9.8888150576e-01 -1.1940835576e+00 7.3580228353e-01 -1.1940835576e+00 1.2800000000e+04 5.1365866016e-03 9.6039062500e-01
437 -4.5030113206e-01 5.7359523201e-01 -1.1595470047e+00 7.0924587266e-01 -1.1595470047e+00 1.2800000000e+04 5.1571000781e-03 9.6453125000e-01
438 -4.5873309377e-01 5.6775566809e-01 -1.1674955428e+00 7.0876244902e-01 -1.1674955428e+00 1.2800000000e+04 5.1545826367e-03 9.6328125000e-01
439 -4.5815078988e-01 7.6663912910e-01 -1.1872092603e+00 7.2905847044e-01 -1.1872092603e+00 1.2800000000e+04 5.1482800928e-03 9.6296875000e-01
440 -4.4025096954e-01 5.4843842891e-01 -1.1917656060e+00 7.5151463647e-01 -1.1917656060e+00 1.2800000000e+04 5.1442598779e-03 9.6312500000e-01
441 -4.7257469828e-01 1.0066694613e+00 -1.1416173065e+00 6.6904260819e-01 -1.1416173065e+00 1.2800000000e+04 5.1579159717e-03 9.6609375000e-01
442 -4.5019904483e-01 4.9978916108e-01 -1.1797379583e+00 7.2953891345e-01 -1.1797379583e+00 1.2800000000e+04 5.1467692627e-03 9.6125000000e-01
443 -4.4462710079e-01 6.1094784542e-01 -1.1921711234e+00 7.4754402264e-01 -1.1921711234e+00 1.2800000000e+04 5.1403990771e-03 9.6007812500e-01
444 -4.4347933041e-01 5.3472061085e-01 -1.1840074867e+00 7.4052815626e-01 -1.1840074867e+00 1.2800000000e+04 5.1534967188e-03 9.6390625000e-01
445 -4.4842108247e-01 6.4845749023e-01 -1.1956468251e+00 7.4722574263e-01 -1.1956468251e+00 1.2800000000e+04 5.1415797021e-03 9.6023437500e-01
446 -4.5171342552e-01 7.1693454553e-01 -1.2042161716e+00 7.5250274612e-01 -1.2042161716e+00 1.2800000000e+04 5.1466656104e-03 9.6171875000e-01
447 -4.4828758483e-01 6.5095774406e-01 -1.1857603467e+00 7.3747276183e-01 -1.1857603467e+00 1.2800000000e+04 5.1417184326e-03 9.6218750000e-01
448 -4.5550050972e-01 6.9789457287e-01 -1.1911366104e+00 7.3563610066e-01 -1.1911366104e+00 1.2800000000e+04 5.1437328320e-03 9.6101562500e-01
449 -4.5875948943e-01 6.5943914635e-01 -1.1811285238e+00 7.2236903438e-01 -1.1811285238e+00 1.2800000000e+04 5.1462572559e-03 9.6203125000e-01
450 -4.5253664888e-01 5.4750345394e-01 -1.1654822137e+00 7.1294556479e-01 -1.1654822137e+00 1.2800000000e+04 5.1459948486e-03 9.6132812500e-01
451 -4.5703270114e-01 6.8614224376e-01 -1.1804534560e+00 7.2342075489e-01 -1.1804534560e+00 1.2800000000e+04 5.1442908643e-03 9.6148437500e-01
452 -4.5683468577e-01 5.5013154990e-01 -1.1471476869e+00 6.9031300115e-01 -1.1471476869e+00 1.2800000000e+04 5.1521236475e-03 9.6234375000e-01
453 -4.5957585146e-01 5.6252241571e-01 -1.1374369938e+00 6.7786114237e-01 -1.1374369938e+00 1.2800000000e+04 5.1550986182e-03 9.6484375000e-01
454 -4.5610182694e-01 5.7370603164e-01 -1.1465109731e+00 6.9040914614e-01 -1.1465109731e+00 1.2800000000e+04 5.1463588672e-03 9.6281250000e-01
455 -4.6362284794e-01 6.6683483878e-01 -1.2150867631e+00 7.5146391514e-01 -1.2150867631e+00 1.2800000000e+04 5.1494731152e-03 9.6242187500e-01
456 -4.4047468691e-01 6.7636821217e-01 -1.2374037033e+00 7.9692901639e-01 -1.2374037033e+00 1.2800000000e+04 5.1530442139e-03 9.6320312500e-01
457 -4.6224943024e-01 6.4496612997e-01 -1.1795748684e+00 7.1732543814e-01 -1.1795748684e+00 1.2800000000e+04 5.1515598633e-03 9.6164062500e-01
458 -4.4571797026e-01 5.7176102386e-01 -1.2135103902e+00 7.6779241995e-01 -1.2135103902e+00 1.2800000000e+04 5.1329420068e-03 9.5695312500e-01
459 -4.4575603691e-01 6.4641776155e-01 -1.1943403945e+00 7.4858435760e-01 -1.1943403945e+00 1.2800000000e+04 5.1463501758e-03 9.6109375000e-01
460 -4.5476033983e-01 8.8605230329e-01 -1.1805650673e+00 7.2580472750e-01 -1.1805650673e+00 1.2800000000e+04 5.1519877148e-03 9.6390625000e-01
461 -4.4074771434e-01 8.4748223627e-01 -1.1944649634e+00 7.5371724907e-01 -1.1944649634e+00 1.2800000000e+04 5.1285389600e-03 9.5593750000e-01
462 -4.5426246282e-01 6.9369338353e-01 -1.1955141136e+00 7.4125165079e-01 -1.1955141136e+00 1.2800000000e+04 5.1439360400e-03 9.5953125000e-01
463 -4.6510088703e-01 7.7025743001e-01 -1.2019405549e+00 7.3683966787e-01 -1.2019405549e+00 1.2800000000e+04 5.1445464307e-03 9.5992187500e-01
464 -4.7543775712e-01 7.6438391812e-01 -1.1610202994e+00 6.8558254229e-01 -1.1610202994e+00 1.2800000000e+04 5.1458743750e-03 9.6445312500e-01
465 -4.7218379283e-01 8.0547334262e-01 -1.1674706030e+00 6.9528681021e-01 -1.1674706030e+00 1.2800000000e+04 5.1429367090e-03 9.6078125000e-01
466 -4.6271482156e-01 7.3698768374e-01 -1.1576170699e+00 6.9490224831e-01 -1.1576170699e+00 1.2800000000e+04 5.1478981934e-03 9.6117187500e-01
467 -4.3844918293e-01 7.6688181297e-01 -1.2163656727e+00 7.7791648972e-01 -1.2163656727e+00 1.2800000000e+04 5.1463982373e-03 9.6109375000e-01
468 -4.4904720322e-01 7.0429295170e-01 -1.1693658771e+00 7.2031867385e-01 -1.1693658771e+00 1.2800000000e+04 5.1494744922e-03 9.6210937500e-01
469 -4.5421492805e-01 5.9559394928e-01 -1.1894169439e+00 7.3520201587e-01 -1.1894169439e+00 1.2800000000e+04 5.1502022070e-03 9.6351562500e-01
470 -4.4274473759e-01 5.5880890192e-01 -1.1833455811e+00 7.4060084350e-01 -1.1833455811e+00 1.2800000000e+04 5.1381942285e-03 9.6046875000e-01
471 -4.3969326073e-01 5.5672391011e-01 -1.2152883807e+00 7.7559511995e-01 -1.2152883807e+00 1.2800000000e+04 5.1480898437e-03 9.6203125000e-01
472 -4.4336131720e-01 6.2266623898e-01 -1.1951001725e+00 7.5173885532e-01 -1.1951001725e+00 1.2800000000e+04 5.1409848389e-03 9.6195312500e-01
473 -4.5779083156e-01 5.9167818942e-01 -1.1882254036e+00 7.3043457206e-01 -1.1882254036e+00 1.2800000000e+04 5.1372973584e-03 9.5976562500e-01
474 -4.5234136373e-01 6.5326206147e-01 -1.1948913197e+00 7.4254995596e-01 -1.1948913197e+00 1.2800000000e+04 5.1316140234e-03 9.5906250000e-01
475 -4.4984392936e-01 6.4999707230e-01 -1.2090444283e+00 7.5920049897e-01 -1.2090444283e+00 1.2800000000e+04 5.1433329199e-03 9.6023437500e-01
476 -4.3713356520e-01 5.5487854022e-01 -1.1841800982e+00 7.4704653303e-01 -1.1841800982e+00 1.2800000000e+04 5.1425866602e-03 9.6070312500e-01
477 -4.5068155485e-01 7.2012344267e-01 -1.2079684571e+00 7.5728690229e-01 -1.2079684571e+00 1.2800000000e+04 5.1425010596e-03 9.6031250000e-01
478 -4.5102948522e-01 7.8013026438e-01 -1.1878605079e+00 7.3683102267e-01 -1.1878605079e+00 1.2800000000e+04 5.1407405859e-03 9.6125000000e-01
479 -4.5543514771e-01 6.2963497615e-01 -1.1975373554e+00 7.4210220766e-01 -1.1975373554e+00 1.2800000000e+04 5.1414903760e-03 9.5976562500e-01
480 -4.5666736178e-01 6.2953323326e-01 -1.1806392440e+00 7.2397188226e-01 -1.1806392440e+00 1.2800000000e+04 5.1406543652e-03 9.6093750000e-01
481 -4.5287819373e-01 6.0383626900e-01 -1.1734298777e+00 7.2055168398e-01 -1.1734298777e+00 1.2800000000e+04 5.1402877197e-03 9.5882812500e-01
482 -4.6961394726e-01 8.3750984662e-01 -1.1985264386e+00 7.2891249138e-01 -1.1985264386e+00 1.2800000000e+04 5.1465178125e-03 9.6164062500e-01
483 -4.4445114517e-01 5.8015089527e-01 -1.1966391306e+00 7.5218798540e-01 -1.1966391306e+00 1.2800000000e+04 5.1455120752e-03 9.6000000000e-01
484 -4.6547988859e-01 5.9196224371e-01 -1.1428327859e+00 6.7735289731e-01 -1.1428327859e+00 1.2800000000e+04 5.1452240283e-03 9.6203125000e-01
485 -4.5506252233e-01 6.3049682305e-01 -1.1871899664e+00 7.3212744403e-01 -1.1871899664e+00 1.2800000000e+04 5.1464988525e-03 9.6187500000e-01
486 -4.6002926581e-01 5.2285786680e-01 -1.1550949623e+00 6.9506569644e-01 -1.1550949623e+00 1.2800000000e+04 5.1471722559e-03 9.6289062500e-01
487 -4.5141728212e-01 5.8616504786e-01 -1.1640548924e+00 7.1263761027e-01 -1.1640548924e+00 1.2800000000e+04 5.1458858789e-03 9.6101562500e-01
488 -4.4611805641e-01 7.7183722302e-01 -1.1978505865e+00 7.5173253011e-01 -1.1978505865e+00 1.2800000000e+04 5.1510554395e-03 9.6406250000e-01
489 -4.6098667723e-01 5.9360918232e-01 -1.1486724432e+00 6.8768576596e-01 -1.1486724432e+00 1.2800000000e+04 5.1394923975e-03 9.6046875000e-01
490 -4.7540996162e-01 1.8129708641e+00 -1.2060496334e+00 7.3063967182e-01 -1.2060496334e+00 1.2800000000e+04 5.1341317676e-03 9.5960937500e-01
491 -4.5970987232e-01 6.1749572426e-01 -1.1913104944e+00 7.3160062209e-01 -1.1913104944e+00 1.2800000000e+04 5.1385822656e-03 9.5960937500e-01
492 -4.6942830124e-01 9.8068041931e-01 -1.1918589549e+00 7.2243065366e-01 -1.1918589549e+00 1.2800000000e+04 5.1501337842e-03 9.6187500000e-01
493 -4.5969271171e-01 6.4541583579e-01 -1.1722174293e+00 7.1252471758e-01 -1.1722174293e+00 1.2800000000e+04 5.1521001221e-03 9.6265625000e-01
494 -4.5803294451e-01 6.5942292364e-01 -1.1604037052e+00 7.0237076067e-01 -1.1604037052e+00 1.2800000000e+04 5.1554889941e-03 9.6320312500e-01
495 -4.4077829621e-01 6.6223492242e-01 -1.1983822265e+00 7.5760393033e-01 -1.1983822265e+00 1.2800000000e+04 5.1395626758e-03 9.6007812500e-01
496 -4.5298286766e-01 5.4489815503e-01 -1.1736039421e+00 7.2062107441e-01 -1.1736039421e+00 1.2800000000e+04 5.1491739551e-03 9.6265625000e-01
497 -4.4288145164e-01 6.6358840624e-01 -1.1824923271e+00 7.3961087544e-01 -1.1824923271e+00 1.2800000000e+04 5.1461424023e-03 9.6125000000e-01
498 -4.4947404864e-01 6.8082863729e-01 -1.1899856218e+00 7.4051157314e-01 -1.1899856218e+00 1.2800000000e+04 5.1362256348e-03 9.5851562500e-01
499 -4.6308005453e-01 6.4679405574e-01 -1.1513066934e+00 6.8822663886e-01 -1.1513066934e+00 1.2800000000e+04 5.1319891846e-03 9.5812500000e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s007.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.7605086429e-01 6.5145956642e-01 -1.1621308871e+00 6.8608002283e-01 -1.1621308871e+00 1.2800000000e+04 5.2388573730e-03 9.8632812500e-01
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415 -4.7037806151e-01 1.2370325393e+00 -1.1391480905e+00 6.6877002897e-01 -1.1391480905e+00 1.2800000000e+04 5.2385681396e-03 9.8585937500e-01
416 -4.7034300920e-01 5.6431245104e-01 -1.1220218822e+00 6.5167887298e-01 -1.1220218822e+00 1.2800000000e+04 5.2291289893e-03 9.8531250000e-01
417 -4.5323243148e-01 7.6612341362e-01 -1.2083617876e+00 7.5512935614e-01 -1.2083617876e+00 1.2800000000e+04 5.2389373535e-03 9.8625000000e-01
418 -4.3881214067e-01 5.3797357214e-01 -1.1803959355e+00 7.4158379481e-01 -1.1803959355e+00 1.2800000000e+04 5.2413639551e-03 9.8648437500e-01
419 -4.5130857192e-01 7.2016697339e-01 -1.1850166214e+00 7.3370804952e-01 -1.1850166214e+00 1.2800000000e+04 5.2407260693e-03 9.8625000000e-01
420 -4.5701175726e-01 6.7263793721e-01 -1.2127430598e+00 7.5573130254e-01 -1.2127430598e+00 1.2800000000e+04 5.2323926025e-03 9.8546875000e-01
421 -4.3182849700e-01 6.4213046549e-01 -1.2054686189e+00 7.7364012190e-01 -1.2054686189e+00 1.2800000000e+04 5.2330329395e-03 9.8531250000e-01
422 -4.6334074580e-01 6.4413570753e-01 -1.2167343806e+00 7.5339363482e-01 -1.2167343806e+00 1.2800000000e+04 5.2330399170e-03 9.8562500000e-01
423 -4.6175883484e-01 6.0339171228e-01 -1.1628911007e+00 7.0113226586e-01 -1.1628911007e+00 1.2800000000e+04 5.2438909277e-03 9.8625000000e-01
424 -4.5287204634e-01 6.1880696466e-01 -1.1942885079e+00 7.4141646154e-01 -1.1942885079e+00 1.2800000000e+04 5.2344828711e-03 9.8476562500e-01
425 -4.5677217945e-01 6.4302540134e-01 -1.2023434129e+00 7.4557123347e-01 -1.2023434129e+00 1.2800000000e+04 5.2365320313e-03 9.8570312500e-01
426 -4.6779364161e-01 7.2696012975e-01 -1.1705292647e+00 7.0273562305e-01 -1.1705292647e+00 1.2800000000e+04 5.2291436865e-03 9.8500000000e-01
427 -4.6243233158e-01 6.2016314570e-01 -1.1568613516e+00 6.9442901997e-01 -1.1568613516e+00 1.2800000000e+04 5.2322995654e-03 9.8515625000e-01
428 -4.5170082965e-01 5.3567938647e-01 -1.1763204843e+00 7.2461965461e-01 -1.1763204843e+00 1.2800000000e+04 5.2422783984e-03 9.8710937500e-01
429 -4.6748272290e-01 9.6559755449e-01 -1.2406073799e+00 7.7312465699e-01 -1.2406073799e+00 1.2800000000e+04 5.2374840674e-03 9.8539062500e-01
430 -4.8144918657e-01 4.6064389323e+00 -1.1802469722e+00 6.9879778564e-01 -1.1802469722e+00 1.2800000000e+04 5.2358739990e-03 9.8546875000e-01
431 -4.5201311572e-01 6.0874442419e-01 -1.2199544657e+00 7.6794134994e-01 -1.2199544657e+00 1.2800000000e+04 5.2313585498e-03 9.8539062500e-01
432 -4.3570548464e-01 6.0553260829e+00 -1.2869848922e+00 8.5127940751e-01 -1.2869848922e+00 1.2800000000e+04 5.2342455713e-03 9.8468750000e-01
433 -4.3818040523e-01 5.1673709865e-01 -1.1700881551e+00 7.3190774987e-01 -1.1700881551e+00 1.2800000000e+04 5.2305213477e-03 9.8437500000e-01
434 -4.4028968455e-01 5.5175761373e-01 -1.2010552343e+00 7.6076554972e-01 -1.2010552343e+00 1.2800000000e+04 5.2369437012e-03 9.8648437500e-01
435 -4.6437225498e-01 5.3204708668e-01 -1.1355090438e+00 6.7113678879e-01 -1.1355090438e+00 1.2800000000e+04 5.2397494141e-03 9.8546875000e-01
436 -4.6034251988e-01 6.6434834583e-01 -1.1691302236e+00 7.0878770371e-01 -1.1691302236e+00 1.2800000000e+04 5.2365519824e-03 9.8562500000e-01
437 -4.7398544557e-01 1.1710231823e+00 -1.1324075572e+00 6.5842211158e-01 -1.1324075572e+00 1.2800000000e+04 5.2420234619e-03 9.8734375000e-01
438 -4.6382177036e-01 6.7549118722e-01 -1.2014505209e+00 7.3762875058e-01 -1.2014505209e+00 1.2800000000e+04 5.2305125146e-03 9.8375000000e-01
439 -4.3649843957e-01 5.5731852797e-01 -1.2008702902e+00 7.6437185064e-01 -1.2008702902e+00 1.2800000000e+04 5.2381669727e-03 9.8648437500e-01
440 -4.7646336636e-01 7.3011494824e-01 -1.1470023865e+00 6.7053902010e-01 -1.1470023865e+00 1.2800000000e+04 5.2306691455e-03 9.8492187500e-01
441 -4.5445271067e-01 5.3573484999e-01 -1.1335334924e+00 6.7908078172e-01 -1.1335334924e+00 1.2800000000e+04 5.2415262012e-03 9.8710937500e-01
442 -4.5793402564e-01 8.5915671293e-01 -1.2076801159e+00 7.4974609031e-01 -1.2076801159e+00 1.2800000000e+04 5.2293186963e-03 9.8531250000e-01
443 -4.5849644361e-01 6.8353821161e-01 -1.1722280986e+00 7.1373165502e-01 -1.1722280986e+00 1.2800000000e+04 5.2326264893e-03 9.8460937500e-01
444 -4.4053641256e-01 5.5583734974e-01 -1.2328752996e+00 7.9233888706e-01 -1.2328752996e+00 1.2800000000e+04 5.2221279053e-03 9.8265625000e-01
445 -4.3526229367e-01 5.8943637029e-01 -1.2150409467e+00 7.7977865300e-01 -1.2150409467e+00 1.2800000000e+04 5.2365549756e-03 9.8578125000e-01
446 -4.5621485437e-01 7.3272592979e-01 -1.1535721502e+00 6.9735729584e-01 -1.1535721502e+00 1.2800000000e+04 5.2399468213e-03 9.8648437500e-01
447 -4.4979950072e-01 5.8199499563e-01 -1.1968546089e+00 7.4705510814e-01 -1.1968546089e+00 1.2800000000e+04 5.2391561621e-03 9.8617187500e-01
448 -4.4921259580e-01 6.2546948186e-01 -1.1751751172e+00 7.2596252144e-01 -1.1751751172e+00 1.2800000000e+04 5.2383303809e-03 9.8554687500e-01
449 -4.7000298886e-01 8.9342525489e-01 -1.1743826641e+00 7.0437967519e-01 -1.1743826641e+00 1.2800000000e+04 5.2349684619e-03 9.8460937500e-01
450 -4.3691271359e-01 5.1111576787e-01 -1.1487487922e+00 7.1183607865e-01 -1.1487487922e+00 1.2800000000e+04 5.2358924707e-03 9.8546875000e-01
451 -4.4438121368e-01 6.3351002067e-01 -1.2253715728e+00 7.8099035916e-01 -1.2253715728e+00 1.2800000000e+04 5.2348185840e-03 9.8546875000e-01
452 -4.6583025498e-01 7.4229179866e-01 -1.1216288920e+00 6.5579863705e-01 -1.1216288920e+00 1.2800000000e+04 5.2397413379e-03 9.8625000000e-01
453 -4.5383977574e-01 7.3804890296e-01 -1.1633697251e+00 7.0952994934e-01 -1.1633697251e+00 1.2800000000e+04 5.2329566211e-03 9.8437500000e-01
454 -4.5896123944e-01 7.2107381478e-01 -1.2190630023e+00 7.6010176282e-01 -1.2190630023e+00 1.2800000000e+04 5.2368604736e-03 9.8554687500e-01
455 -4.4343933744e-01 7.1780189548e-01 -1.2007449328e+00 7.5730559531e-01 -1.2007449328e+00 1.2800000000e+04 5.2352697607e-03 9.8593750000e-01
456 -4.6170745104e-01 6.7566495111e-01 -1.2274683840e+00 7.6576093295e-01 -1.2274683840e+00 1.2800000000e+04 5.2232593164e-03 9.8250000000e-01
457 -4.5207975097e-01 6.8093191904e-01 -1.1917665715e+00 7.3968682051e-01 -1.1917665715e+00 1.2800000000e+04 5.2322238330e-03 9.8578125000e-01
458 -4.6276214976e-01 1.2669715903e+00 -1.2069637605e+00 7.4420161071e-01 -1.2069637605e+00 1.2800000000e+04 5.2335891553e-03 9.8492187500e-01
459 -4.5325338977e-01 8.2268520972e-01 -1.1990846790e+00 7.4583128921e-01 -1.1990846790e+00 1.2800000000e+04 5.2432312158e-03 9.8765625000e-01
460 -4.6761580719e-01 6.5004919653e-01 -1.1508745578e+00 6.8325875063e-01 -1.1508745578e+00 1.2800000000e+04 5.2360155615e-03 9.8546875000e-01
461 -4.4149914018e-01 5.9664380989e-01 -1.2027969671e+00 7.6129782694e-01 -1.2027969671e+00 1.2800000000e+04 5.2375818945e-03 9.8593750000e-01
462 -4.5412718615e-01 7.3923578867e-01 -1.2056395767e+00 7.5151239060e-01 -1.2056395767e+00 1.2800000000e+04 5.2349807812e-03 9.8601562500e-01
463 -4.5266469571e-01 5.9179237302e-01 -1.1860574115e+00 7.3339271577e-01 -1.1860574115e+00 1.2800000000e+04 5.2210065967e-03 9.8171875000e-01
464 -4.4766023329e-01 6.3397657269e-01 -1.2014466244e+00 7.5378639106e-01 -1.2014466244e+00 1.2800000000e+04 5.2346949854e-03 9.8515625000e-01
465 -4.5534335530e-01 1.0339789847e+00 -1.2169106536e+00 7.6156729831e-01 -1.2169106536e+00 1.2800000000e+04 5.2334634570e-03 9.8492187500e-01
466 -4.3703606998e-01 6.1960742046e-01 -1.2137056930e+00 7.7666962300e-01 -1.2137056930e+00 1.2800000000e+04 5.2317615820e-03 9.8539062500e-01
467 -4.7025458422e-01 9.9562043089e-01 -1.1559380915e+00 6.8568350725e-01 -1.1559380915e+00 1.2800000000e+04 5.2462793457e-03 9.8734375000e-01
468 -4.4840909501e-01 5.8593755714e-01 -1.2041084200e+00 7.5569932495e-01 -1.2041084200e+00 1.2800000000e+04 5.2401107861e-03 9.8625000000e-01
469 -4.6902951319e-01 7.7404521362e-01 -1.1270894946e+00 6.5805998139e-01 -1.1270894946e+00 1.2800000000e+04 5.2466493652e-03 9.8773437500e-01
470 -4.4457732727e-01 5.0844384116e-01 -1.1578606277e+00 7.1328330043e-01 -1.1578606277e+00 1.2800000000e+04 5.2402944092e-03 9.8679687500e-01
471 -4.5429250584e-01 9.3398809225e-01 -1.2255627747e+00 7.7127026888e-01 -1.2255627747e+00 1.2800000000e+04 5.2340311914e-03 9.8585937500e-01
472 -4.3857629316e-01 6.1162431221e-01 -1.1946295124e+00 7.5605321927e-01 -1.1946295124e+00 1.2800000000e+04 5.2306903711e-03 9.8531250000e-01
473 -4.5709213228e-01 1.1448073787e+00 -1.1831533617e+00 7.2606122938e-01 -1.1831533617e+00 1.2800000000e+04 5.2310703223e-03 9.8523437500e-01
474 -4.5742701496e-01 6.1104103854e-01 -1.1737586774e+00 7.1633166245e-01 -1.1737586774e+00 1.2800000000e+04 5.2360992139e-03 9.8585937500e-01
475 -4.6090921675e-01 7.4967381426e-01 -1.1475375796e+00 6.8662836286e-01 -1.1475375796e+00 1.2800000000e+04 5.2413955420e-03 9.8617187500e-01
476 -4.5422711779e-01 4.9072493517e-01 -1.1536149628e+00 6.9938784502e-01 -1.1536149628e+00 1.2800000000e+04 5.2391542529e-03 9.8593750000e-01
477 -4.7458579999e-01 6.4987618956e-01 -1.1799991798e+00 7.0541337977e-01 -1.1799991798e+00 1.2800000000e+04 5.2399089160e-03 9.8617187500e-01
478 -4.3482923173e-01 4.6417838384e-01 -1.1440235083e+00 7.0919427654e-01 -1.1440235083e+00 1.2800000000e+04 5.2415328516e-03 9.8750000000e-01
479 -4.5684320842e-01 7.4221405015e-01 -1.2361213119e+00 7.7927810345e-01 -1.2361213119e+00 1.2800000000e+04 5.2360396191e-03 9.8585937500e-01
480 -4.4220264050e-01 5.7799343530e-01 -1.1983231568e+00 7.5612051633e-01 -1.1983231568e+00 1.2800000000e+04 5.2397663330e-03 9.8671875000e-01
481 -4.4678867575e-01 6.9879868956e-01 -1.2257152385e+00 7.7892656277e-01 -1.2257152385e+00 1.2800000000e+04 5.2254752686e-03 9.8390625000e-01
482 -4.5682140299e-01 6.4323177545e-01 -1.2034260768e+00 7.4660467377e-01 -1.2034260768e+00 1.2800000000e+04 5.2389602832e-03 9.8539062500e-01
483 -4.7008258627e-01 6.2033716854e-01 -1.1714512259e+00 7.0136863966e-01 -1.1714512259e+00 1.2800000000e+04 5.2339662305e-03 9.8445312500e-01
484 -4.5343685818e-01 6.9039774501e-01 -1.1818801311e+00 7.2844327288e-01 -1.1818801311e+00 1.2800000000e+04 5.2291878320e-03 9.8523437500e-01
485 -4.3924463456e-01 6.4368913581e-01 -1.2638881190e+00 8.2464348449e-01 -1.2638881190e+00 1.2800000000e+04 5.2393097070e-03 9.8648437500e-01
486 -4.3941738844e-01 7.0224844988e-01 -1.2302949323e+00 7.9087754387e-01 -1.2302949323e+00 1.2800000000e+04 5.2343855029e-03 9.8492187500e-01
487 -4.4664006928e-01 6.3219678823e-01 -1.1897442126e+00 7.4310414328e-01 -1.1897442126e+00 1.2800000000e+04 5.2362997705e-03 9.8531250000e-01
488 -4.7213185432e-01 6.2809453397e-01 -1.1825319664e+00 7.1040011207e-01 -1.1825319664e+00 1.2800000000e+04 5.2356216797e-03 9.8617187500e-01
489 -4.6370745631e-01 6.4143565530e-01 -1.1725899005e+00 7.0888244421e-01 -1.1725899005e+00 1.2800000000e+04 5.2284235059e-03 9.8476562500e-01
490 -4.3877299666e-01 6.3753211839e-01 -1.2009795386e+00 7.6220654195e-01 -1.2009795386e+00 1.2800000000e+04 5.2381320361e-03 9.8546875000e-01
491 -4.5225866443e-01 7.5730816733e-01 -1.2099561683e+00 7.5769750387e-01 -1.2099561683e+00 1.2800000000e+04 5.2289590332e-03 9.8492187500e-01
492 -4.6040668862e-01 6.5153974679e-01 -1.1773097111e+00 7.1690302249e-01 -1.1773097111e+00 1.2800000000e+04 5.2388576904e-03 9.8609375000e-01
493 -4.3801576524e-01 7.9973602711e-01 -1.2494160294e+00 8.1140026416e-01 -1.2494160294e+00 1.2800000000e+04 5.2287612158e-03 9.8335937500e-01
494 -4.2234228368e-01 6.2265795071e-01 -1.2908538481e+00 8.6851156443e-01 -1.2908538481e+00 1.2800000000e+04 5.2375404883e-03 9.8546875000e-01
495 -4.6502047307e-01 8.2346626664e-01 -1.1970204961e+00 7.3200002307e-01 -1.1970204961e+00 1.2800000000e+04 5.2366571289e-03 9.8500000000e-01
496 -4.3177369739e-01 5.9650312130e-01 -1.1919277257e+00 7.6015402830e-01 -1.1919277257e+00 1.2800000000e+04 5.2289625732e-03 9.8539062500e-01
497 -4.5059375040e-01 6.3578088933e-01 -1.1827930047e+00 7.3219925427e-01 -1.1827930047e+00 1.2800000000e+04 5.2281527832e-03 9.8421875000e-01
498 -4.6559676734e-01 9.3252008421e-01 -1.2092147830e+00 7.4361801563e-01 -1.2092147830e+00 1.2800000000e+04 5.2352308936e-03 9.8492187500e-01
499 -4.6514345085e-01 7.1026604502e-01 -1.1858008841e+00 7.2065743327e-01 -1.1858008841e+00 1.2800000000e+04 5.2286999658e-03 9.8437500000e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s008.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.3058658381e-01 5.9921482455e-01 -1.2237578302e+00 7.9317124644e-01 -1.2237578302e+00 1.2800000000e+04 5.2850067920e-03 9.9656250000e-01
1 -4.4730929078e-01 5.4918666951e-01 -1.1789078683e+00 7.3159857750e-01 -1.1789078683e+00 1.2800000000e+04 5.2826006250e-03 9.9625000000e-01
2 -4.5863622041e-01 6.0733703805e-01 -1.1649618956e+00 7.0632567517e-01 -1.1649618956e+00 1.2800000000e+04 5.2879115674e-03 9.9679687500e-01
3 -4.4178629498e-01 5.5382797800e-01 -1.1743918034e+00 7.3260550839e-01 -1.1743918034e+00 1.2800000000e+04 5.2776233936e-03 9.9539062500e-01
4 -4.5767726560e-01 6.0196416957e-01 -1.1973835483e+00 7.3970628271e-01 -1.1973835483e+00 1.2800000000e+04 5.2860480713e-03 9.9671875000e-01
5 -4.5143450628e-01 9.4191721433e-01 -1.2872646028e+00 8.3583009649e-01 -1.2872646028e+00 1.2800000000e+04 5.2780056299e-03 9.9601562500e-01
6 -4.4680486247e-01 4.9330913217e-01 -1.1173115421e+00 6.7050667966e-01 -1.1173115421e+00 1.2800000000e+04 5.2880357617e-03 9.9796875000e-01
7 -4.3542280364e-01 5.8286461348e-01 -1.2188644226e+00 7.8344161892e-01 -1.2188644226e+00 1.2800000000e+04 5.2749314893e-03 9.9546875000e-01
8 -4.6847774718e-01 7.5915954034e-01 -1.1976375547e+00 7.2915980756e-01 -1.1976375547e+00 1.2800000000e+04 5.2787964404e-03 9.9507812500e-01
9 -4.7269058468e-01 9.3498038119e-01 -1.2950560406e+00 8.2236545589e-01 -1.2950560406e+00 1.2800000000e+04 5.2812031836e-03 9.9593750000e-01
10 -4.6609971846e-01 1.0227939082e+00 -1.2922243280e+00 8.2612460953e-01 -1.2922243280e+00 1.2800000000e+04 5.2812774902e-03 9.9664062500e-01
11 -4.5577039380e-01 6.0916561313e-01 -1.1779124610e+00 7.2214206716e-01 -1.1779124610e+00 1.2800000000e+04 5.2798793262e-03 9.9585937500e-01
12 -4.6454898818e-01 6.5167708612e-01 -1.1145707793e+00 6.5002179113e-01 -1.1145707793e+00 1.2800000000e+04 5.2818750000e-03 9.9625000000e-01
13 -4.1994241190e-01 5.7314215575e-01 -1.2140001114e+00 7.9405769950e-01 -1.2140001114e+00 1.2800000000e+04 5.2827306641e-03 9.9656250000e-01
14 -4.5739937415e-01 5.7737542715e-01 -1.1626053856e+00 7.0520601145e-01 -1.1626053856e+00 1.2800000000e+04 5.2877453467e-03 9.9710937500e-01
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429 -4.5545888011e-01 6.6796502796e-01 -1.1558421548e+00 7.0038327470e-01 -1.1558421548e+00 1.2800000000e+04 5.2852044678e-03 9.9695312500e-01
430 -4.8670908657e-01 7.3106024378e-01 -1.1513783987e+00 6.6466931209e-01 -1.1513783987e+00 1.2800000000e+04 5.2784763916e-03 9.9554687500e-01
431 -4.4807392250e-01 5.3435548915e-01 -1.1816265625e+00 7.3355263999e-01 -1.1816265625e+00 1.2800000000e+04 5.2873079492e-03 9.9687500000e-01
432 -4.3304452539e-01 7.7330120531e-01 -1.2370754393e+00 8.0403091395e-01 -1.2370754393e+00 1.2800000000e+04 5.2823111621e-03 9.9632812500e-01
433 -4.5674676006e-01 6.7758388838e-01 -1.1664284086e+00 7.0968164858e-01 -1.1664284086e+00 1.2800000000e+04 5.2843300195e-03 9.9703125000e-01
434 -4.9601567495e-01 6.4444786550e-01 -1.1085416677e+00 6.1252599271e-01 -1.1085416677e+00 1.2800000000e+04 5.2843559326e-03 9.9593750000e-01
435 -4.6754115314e-01 1.2509161891e+00 -1.1538631329e+00 6.8632197975e-01 -1.1538631329e+00 1.2800000000e+04 5.2871456982e-03 9.9671875000e-01
436 -4.4932532430e-01 6.5622272209e-01 -1.1582246139e+00 7.0889928960e-01 -1.1582246139e+00 1.2800000000e+04 5.2870982031e-03 9.9648437500e-01
437 -4.4658912965e-01 9.1932222302e-01 -1.2449968048e+00 7.9840767519e-01 -1.2449968048e+00 1.2800000000e+04 5.2777889844e-03 9.9570312500e-01
438 -4.6147054656e-01 1.6684137238e+00 -1.2045264365e+00 7.4305588992e-01 -1.2045264365e+00 1.2800000000e+04 5.2819581982e-03 9.9625000000e-01
439 -4.6911410750e-01 6.0856757478e-01 -1.1377040633e+00 6.6858995576e-01 -1.1377040633e+00 1.2800000000e+04 5.2822934814e-03 9.9625000000e-01
440 -4.5408748223e-01 7.9337296078e-01 -1.1453348310e+00 6.9124734881e-01 -1.1453348310e+00 1.2800000000e+04 5.2853255664e-03 9.9648437500e-01
441 -4.4995411576e-01 5.5256646386e-01 -1.1641959053e+00 7.1424178951e-01 -1.1641959053e+00 1.2800000000e+04 5.2931865430e-03 9.9710937500e-01
442 -4.7961856813e-01 8.4127462734e-01 -1.1251800085e+00 6.4556144037e-01 -1.1251800085e+00 1.2800000000e+04 5.2811326465e-03 9.9601562500e-01
443 -4.4441431008e-01 6.2969235057e-01 -1.2089408992e+00 7.6452658915e-01 -1.2089408992e+00 1.2800000000e+04 5.2828284521e-03 9.9585937500e-01
444 -4.5389727567e-01 5.5599516736e-01 -1.1527807853e+00 6.9888350961e-01 -1.1527807853e+00 1.2800000000e+04 5.2834223682e-03 9.9671875000e-01
445 -4.4629435570e-01 5.3941921253e-01 -1.1669612643e+00 7.2066690864e-01 -1.1669612643e+00 1.2800000000e+04 5.2821364014e-03 9.9593750000e-01
446 -4.4754833574e-01 5.6128528306e-01 -1.1286971717e+00 6.8114883601e-01 -1.1286971717e+00 1.2800000000e+04 5.2767340283e-03 9.9531250000e-01
447 -4.4672011692e-01 6.4425362101e-01 -1.2003367849e+00 7.5361666793e-01 -1.2003367849e+00 1.2800000000e+04 5.2894699561e-03 9.9710937500e-01
448 -4.5024743406e-01 6.1236579545e-01 -1.1939595706e+00 7.4371213651e-01 -1.1939595706e+00 1.2800000000e+04 5.2899790186e-03 9.9656250000e-01
449 -4.4591056182e-01 8.1421298275e-01 -1.2500653152e+00 8.0415475339e-01 -1.2500653152e+00 1.2800000000e+04 5.2796681299e-03 9.9593750000e-01
450 -4.6186114386e-01 8.2339582110e-01 -1.1806556602e+00 7.1879451630e-01 -1.1806556602e+00 1.2800000000e+04 5.2825219482e-03 9.9617187500e-01
451 -4.5159763117e-01 8.3867464317e-01 -1.2156436714e+00 7.6404604022e-01 -1.2156436714e+00 1.2800000000e+04 5.2808823877e-03 9.9601562500e-01
452 -4.4216534241e-01 6.8886767318e-01 -1.2036785257e+00 7.6151318326e-01 -1.2036785257e+00 1.2800000000e+04 5.2837905713e-03 9.9609375000e-01
453 -4.4158928456e-01 5.3402526499e-01 -1.1328280824e+00 6.9123879780e-01 -1.1328280824e+00 1.2800000000e+04 5.2874603760e-03 9.9656250000e-01
454 -4.5004926277e-01 5.3622374177e-01 -1.1454145041e+00 6.9536524136e-01 -1.1454145041e+00 1.2800000000e+04 5.2850286719e-03 9.9640625000e-01
455 -4.7131829967e-01 6.7045778636e-01 -1.1977641387e+00 7.2644583903e-01 -1.1977641387e+00 1.2800000000e+04 5.2764049365e-03 9.9570312500e-01
456 -4.5517670404e-01 6.5287747961e-01 -1.1891086046e+00 7.3393190054e-01 -1.1891086046e+00 1.2800000000e+04 5.2854549805e-03 9.9671875000e-01
457 -4.4187903290e-01 5.5620339378e-01 -1.1598878975e+00 7.1800886457e-01 -1.1598878975e+00 1.2800000000e+04 5.2869147021e-03 9.9750000000e-01
458 -4.3738867789e-01 6.1571730723e-01 -1.2134946875e+00 7.7610600959e-01 -1.2134946875e+00 1.2800000000e+04 5.2792698730e-03 9.9562500000e-01
459 -4.5094647460e-01 6.2530334206e-01 -1.1924736359e+00 7.4152716131e-01 -1.1924736359e+00 1.2800000000e+04 5.2827345850e-03 9.9625000000e-01
460 -4.7190234552e-01 6.2013968687e-01 -1.1408619507e+00 6.6895960513e-01 -1.1408619507e+00 1.2800000000e+04 5.2881008301e-03 9.9679687500e-01
461 -4.5175350529e-01 5.9374168383e-01 -1.1805517285e+00 7.2879822321e-01 -1.1805517285e+00 1.2800000000e+04 5.2862629053e-03 9.9617187500e-01
462 -4.6904060244e-01 9.9434676046e-01 -1.2192225180e+00 7.5018191551e-01 -1.2192225180e+00 1.2800000000e+04 5.2810955957e-03 9.9617187500e-01
463 -4.6417487869e-01 7.2544427516e-01 -1.1704678519e+00 7.0629297325e-01 -1.1704678519e+00 1.2800000000e+04 5.2861333252e-03 9.9679687500e-01
464 -4.8201494636e-01 6.7723434521e-01 -1.1352225012e+00 6.5320755489e-01 -1.1352225012e+00 1.2800000000e+04 5.2907512939e-03 9.9773437500e-01
465 -4.5727512791e-01 7.1637885362e-01 -1.2013328573e+00 7.4405772935e-01 -1.2013328573e+00 1.2800000000e+04 5.2825304150e-03 9.9617187500e-01
466 -4.6970880691e-01 6.0391308950e-01 -1.1230608363e+00 6.5335202936e-01 -1.1230608363e+00 1.2800000000e+04 5.2887849512e-03 9.9710937500e-01
467 -4.4405411175e-01 5.2745763045e-01 -1.1494334657e+00 7.0537935392e-01 -1.1494334657e+00 1.2800000000e+04 5.2887075342e-03 9.9695312500e-01
468 -4.3785910488e-01 6.3856745137e-01 -1.2504606784e+00 8.1260157352e-01 -1.2504606784e+00 1.2800000000e+04 5.2861428711e-03 9.9695312500e-01
469 -4.3659508413e-01 5.7179606273e-01 -1.2022218091e+00 7.6562672499e-01 -1.2022218091e+00 1.2800000000e+04 5.2777741650e-03 9.9500000000e-01
470 -4.5246360416e-01 7.2916898821e-01 -1.1846706081e+00 7.3220700392e-01 -1.1846706081e+00 1.2800000000e+04 5.2819904980e-03 9.9632812500e-01
471 -4.4274606350e-01 6.0400280682e-01 -1.2280488197e+00 7.8530275615e-01 -1.2280488197e+00 1.2800000000e+04 5.2851753906e-03 9.9632812500e-01
472 -4.3178412471e-01 6.9978578285e-01 -1.2279982701e+00 7.9621414536e-01 -1.2279982701e+00 1.2800000000e+04 5.2805798438e-03 9.9539062500e-01
473 -4.5271237214e-01 5.6504451707e-01 -1.1225996511e+00 6.6988727899e-01 -1.1225996511e+00 1.2800000000e+04 5.2832867334e-03 9.9593750000e-01
474 -4.6181953493e-01 6.1005443930e-01 -1.1681821164e+00 7.0636258151e-01 -1.1681821164e+00 1.2800000000e+04 5.2878723779e-03 9.9710937500e-01
475 -4.7501795750e-01 9.0618640495e-01 -1.2129986062e+00 7.3798064869e-01 -1.2129986062e+00 1.2800000000e+04 5.2852796826e-03 9.9687500000e-01
476 -4.1499379324e-01 6.1230319982e-01 -1.2977885032e+00 8.8279471000e-01 -1.2977885032e+00 1.2800000000e+04 5.2827992139e-03 9.9640625000e-01
477 -4.6424474190e-01 8.2844683547e-01 -1.2085843474e+00 7.4433960550e-01 -1.2085843474e+00 1.2800000000e+04 5.2842269189e-03 9.9632812500e-01
478 -4.5595231826e-01 5.2198032469e-01 -1.1317382103e+00 6.7578589203e-01 -1.1317382103e+00 1.2800000000e+04 5.2827105762e-03 9.9601562500e-01
479 -4.7464084232e-01 7.0612587737e-01 -1.1683872442e+00 6.9374640193e-01 -1.1683872442e+00 1.2800000000e+04 5.2803357080e-03 9.9601562500e-01
480 -4.3681687139e-01 5.5895508203e-01 -1.2096343608e+00 7.7281748938e-01 -1.2096343608e+00 1.2800000000e+04 5.2863121777e-03 9.9703125000e-01
481 -4.4552377738e-01 6.8412131822e-01 -1.2487523621e+00 8.0322858472e-01 -1.2487523621e+00 1.2800000000e+04 5.2846891504e-03 9.9617187500e-01
482 -4.5708543113e-01 7.6872679604e-01 -1.2439995934e+00 7.8691416229e-01 -1.2439995934e+00 1.2800000000e+04 5.2785458301e-03 9.9546875000e-01
483 -4.3055628366e-01 6.1068237369e-01 -1.1895167979e+00 7.5896051423e-01 -1.1895167979e+00 1.2800000000e+04 5.2850539111e-03 9.9656250000e-01
484 -4.3652468906e-01 5.2769377467e-01 -1.1498490731e+00 7.1332438409e-01 -1.1498490731e+00 1.2800000000e+04 5.2793954395e-03 9.9546875000e-01
485 -4.5959473898e-01 5.3318641907e-01 -1.1359153512e+00 6.7632061226e-01 -1.1359153512e+00 1.2800000000e+04 5.2833127100e-03 9.9640625000e-01
486 -4.7049572037e-01 9.4850898818e-01 -1.2341432105e+00 7.6364749009e-01 -1.2341432105e+00 1.2800000000e+04 5.2899090576e-03 9.9703125000e-01
487 -4.3290510275e-01 6.2169508519e-01 -1.2225047844e+00 7.8959968169e-01 -1.2225047844e+00 1.2800000000e+04 5.2777187549e-03 9.9562500000e-01
488 -4.4190664454e-01 5.5132207223e-01 -1.2145306311e+00 7.7262398654e-01 -1.2145306311e+00 1.2800000000e+04 5.2851665723e-03 9.9593750000e-01
489 -4.5775217928e-01 9.8187858113e-01 -1.2604601576e+00 8.0270797830e-01 -1.2604601576e+00 1.2800000000e+04 5.2842433105e-03 9.9656250000e-01
490 -4.3801114244e-01 7.6072463868e-01 -1.2223406257e+00 7.8432948328e-01 -1.2223406257e+00 1.2800000000e+04 5.2773827539e-03 9.9554687500e-01
491 -4.7590124781e-01 7.0697721468e-01 -1.1752855265e+00 6.9938427869e-01 -1.1752855265e+00 1.2800000000e+04 5.2859316113e-03 9.9640625000e-01
492 -4.7674256403e-01 7.4970556309e-01 -1.1988958825e+00 7.2215331848e-01 -1.1988958825e+00 1.2800000000e+04 5.2861387256e-03 9.9656250000e-01
493 -4.5977429215e-01 9.9000977721e-01 -1.2251650117e+00 7.6539071956e-01 -1.2251650117e+00 1.2800000000e+04 5.2831092920e-03 9.9632812500e-01
494 -4.5759092408e-01 8.0078532024e-01 -1.2247218103e+00 7.6713088622e-01 -1.2247218103e+00 1.2800000000e+04 5.2833446436e-03 9.9601562500e-01
495 -4.5869564428e-01 5.0198639744e-01 -1.1419478210e+00 6.8325217673e-01 -1.1419478210e+00 1.2800000000e+04 5.2806604932e-03 9.9531250000e-01
496 -4.7828824384e-01 6.9477614415e-01 -1.1903759677e+00 7.1208772381e-01 -1.1903759677e+00 1.2800000000e+04 5.2815245654e-03 9.9632812500e-01
497 -4.3105892456e-01 6.7179337559e-01 -1.2433465845e+00 8.1228765991e-01 -1.2433465845e+00 1.2800000000e+04 5.2812790039e-03 9.9609375000e-01
498 -4.3215942019e-01 5.4465636534e-01 -1.2195883605e+00 7.8742894036e-01 -1.2195883605e+00 1.2800000000e+04 5.2860745020e-03 9.9617187500e-01
499 -4.5096848592e-01 6.1029603459e-01 -1.1599528266e+00 7.0898434067e-01 -1.1599528266e+00 1.2800000000e+04 5.2857179150e-03 9.9718750000e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s009.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.6560519798e-01 1.2121203603e+00 -1.1934356042e+00 7.2783040620e-01 -1.1934356042e+00 1.2800000000e+04 5.3009636133e-03 9.9875000000e-01
1 -4.6278772612e-01 7.3160343165e-01 -1.1919490775e+00 7.2916135140e-01 -1.1919490775e+00 1.2800000000e+04 5.2919401953e-03 9.9859375000e-01
2 -4.4469825926e-01 6.5437904685e-01 -1.2132072187e+00 7.6850895946e-01 -1.2132072187e+00 1.2800000000e+04 5.2936297754e-03 9.9867187500e-01
3 -4.9201871672e-01 9.2912259120e-01 -1.2402946766e+00 7.4827595989e-01 -1.2402946766e+00 1.2800000000e+04 5.2988795947e-03 9.9914062500e-01
4 -4.4121945598e-01 6.7478195375e-01 -1.1935613488e+00 7.5234189282e-01 -1.1935613488e+00 1.2800000000e+04 5.2942879297e-03 9.9906250000e-01
5 -4.6052724155e-01 5.3088177517e-01 -1.1402233006e+00 6.7969605904e-01 -1.1402233006e+00 1.2800000000e+04 5.2923462109e-03 9.9835937500e-01
6 -4.5008010385e-01 8.1437221815e-01 -1.2022337256e+00 7.5215362177e-01 -1.2022337256e+00 1.2800000000e+04 5.2925287158e-03 9.9867187500e-01
7 -4.2167005200e-01 6.8282383304e-01 -1.2386740409e+00 8.1700398888e-01 -1.2386740409e+00 1.2800000000e+04 5.2957538184e-03 9.9898437500e-01
8 -4.0851309816e-01 7.0389424020e-01 -1.2646570738e+00 8.5614397565e-01 -1.2646570738e+00 1.2800000000e+04 5.2981253711e-03 9.9890625000e-01
9 -4.6427667625e-01 1.2925356693e+00 -1.2057868462e+00 7.4151016995e-01 -1.2057868462e+00 1.2800000000e+04 5.2926854883e-03 9.9835937500e-01
10 -4.2960012787e-01 7.2376302743e-01 -1.2244386335e+00 7.9483850561e-01 -1.2244386335e+00 1.2800000000e+04 5.2935895850e-03 9.9835937500e-01
11 -4.4669759998e-01 1.0662611231e+00 -1.1907527515e+00 7.4405515155e-01 -1.1907527515e+00 1.2800000000e+04 5.2901319873e-03 9.9859375000e-01
12 -4.2833623616e-01 5.2226286028e-01 -1.2349647293e+00 8.0662849314e-01 -1.2349647293e+00 1.2800000000e+04 5.2938225732e-03 9.9835937500e-01
13 -4.1324960719e-01 5.0416420804e-01 -1.2315227824e+00 8.1827317517e-01 -1.2315227824e+00 1.2800000000e+04 5.2913149170e-03 9.9820312500e-01
14 -4.5291441439e-01 7.1933635302e-01 -1.2664374411e+00 8.1352302666e-01 -1.2664374411e+00 1.2800000000e+04 5.2958416357e-03 9.9851562500e-01
15 -4.7523185579e-01 7.6008714455e-01 -1.1836263686e+00 7.0839451285e-01 -1.1836263686e+00 1.2800000000e+04 5.2963061084e-03 9.9898437500e-01
16 -4.6451264573e-01 1.4176890064e+00 -1.2336673350e+00 7.6915468932e-01 -1.2336673350e+00 1.2800000000e+04 5.2943046631e-03 9.9835937500e-01
17 -4.3956428589e-01 8.7379293800e-01 -1.2519590729e+00 8.1239478705e-01 -1.2519590729e+00 1.2800000000e+04 5.2947438232e-03 9.9851562500e-01
18 -4.6815058867e-01 6.5476339232e-01 -1.1402844212e+00 6.7213383255e-01 -1.1402844212e+00 1.2800000000e+04 5.2957828467e-03 9.9890625000e-01
19 -4.7823239133e-01 7.4601602433e-01 -1.2019574437e+00 7.2372505235e-01 -1.2019574437e+00 1.2800000000e+04 5.2922777783e-03 9.9843750000e-01
20 -4.5551066820e-01 5.1026331249e-01 -1.0993152073e+00 6.4380453909e-01 -1.0993152073e+00 1.2800000000e+04 5.2986100732e-03 9.9875000000e-01
21 -4.4978501604e-01 6.5906720680e-01 -1.2107839509e+00 7.6099893488e-01 -1.2107839509e+00 1.2800000000e+04 5.2903518457e-03 9.9804687500e-01
22 -4.5421368151e-01 7.5263506288e-01 -1.2402154651e+00 7.8600178356e-01 -1.2402154651e+00 1.2800000000e+04 5.2912024512e-03 9.9851562500e-01
23 -4.8668031683e-01 8.1150227674e-01 -1.1843110619e+00 6.9763074502e-01 -1.1843110619e+00 1.2800000000e+04 5.2920401562e-03 9.9851562500e-01
24 -5.1698959085e-01 9.0473765917e-01 -1.1655604794e+00 6.4857088852e-01 -1.1655604794e+00 1.2800000000e+04 5.2983222217e-03 9.9875000000e-01
25 -5.0251871222e-01 2.4035906167e+00 -1.1956563730e+00 6.9313766082e-01 -1.1956563730e+00 1.2800000000e+04 5.2952789160e-03 9.9875000000e-01
26 -4.5021918308e-01 6.5372524434e-01 -1.1554716914e+00 7.0525250829e-01 -1.1554716914e+00 1.2800000000e+04 5.2947922168e-03 9.9890625000e-01
27 -4.0867707285e-01 4.4748832380e-01 -1.1609921707e+00 7.5231509780e-01 -1.1609921707e+00 1.2800000000e+04 5.2944409570e-03 9.9875000000e-01
28 -4.4011032571e-01 7.0532934801e-01 -1.1522016495e+00 7.1209132382e-01 -1.1522016495e+00 1.2800000000e+04 5.2905172217e-03 9.9843750000e-01
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444 -4.9150234157e-01 5.7485712127e-01 -1.0953697137e+00 6.0386737212e-01 -1.0953697137e+00 1.2800000000e+04 5.3005636572e-03 9.9882812500e-01
445 -4.7153176017e-01 7.0581594200e-01 -1.1374757829e+00 6.6594402276e-01 -1.1374757829e+00 1.2800000000e+04 5.2980152344e-03 9.9867187500e-01
446 -4.6860812077e-01 6.9656772937e-01 -1.2018087440e+00 7.3320062322e-01 -1.2018087440e+00 1.2800000000e+04 5.2969254883e-03 9.9898437500e-01
447 -4.4112500757e-01 6.4615873366e-01 -1.1790966836e+00 7.3797167602e-01 -1.1790966836e+00 1.2800000000e+04 5.2959951855e-03 9.9851562500e-01
448 -4.6274348797e-01 7.8428085937e-01 -1.1986250406e+00 7.3588155266e-01 -1.1986250406e+00 1.2800000000e+04 5.2960566699e-03 9.9921875000e-01
449 -4.6717758607e-01 1.3320226785e+00 -1.2629478037e+00 7.9577021765e-01 -1.2629478037e+00 1.2800000000e+04 5.2980686133e-03 9.9890625000e-01
450 -4.4998485651e-01 4.9461620358e-01 -1.1202779493e+00 6.7029309275e-01 -1.1202779493e+00 1.2800000000e+04 5.2990407568e-03 9.9929687500e-01
451 -4.9908243058e-01 6.0245507364e-01 -1.1334303757e+00 6.3434794512e-01 -1.1334303757e+00 1.2800000000e+04 5.2941103174e-03 9.9867187500e-01
452 -4.7596987777e-01 1.0897078071e+00 -1.1561240389e+00 6.8015416118e-01 -1.1561240389e+00 1.2800000000e+04 5.2948993066e-03 9.9851562500e-01
453 -4.6302268436e-01 1.0929123544e+00 -1.1660147577e+00 7.0299207336e-01 -1.1660147577e+00 1.2800000000e+04 5.2968631348e-03 9.9882812500e-01
454 -4.6323316272e-01 7.5617716553e-01 -1.2008453538e+00 7.3761219111e-01 -1.2008453538e+00 1.2800000000e+04 5.2982198096e-03 9.9898437500e-01
455 -4.6079297476e-01 5.9902158659e-01 -1.1852868560e+00 7.2449388128e-01 -1.1852868560e+00 1.2800000000e+04 5.2944452393e-03 9.9859375000e-01
456 -4.4051393137e-01 5.4779589990e-01 -1.1768795074e+00 7.3636557605e-01 -1.1768795074e+00 1.2800000000e+04 5.2952752344e-03 9.9859375000e-01
457 -4.6105051522e-01 2.1242035033e+00 -1.2040223694e+00 7.4297185414e-01 -1.2040223694e+00 1.2800000000e+04 5.2943613525e-03 9.9812500000e-01
458 -4.9600042536e-01 6.1035693841e-01 -1.1174889815e+00 6.2148855615e-01 -1.1174889815e+00 1.2800000000e+04 5.2967914844e-03 9.9882812500e-01
459 -4.8144829214e-01 9.2159672251e-01 -1.1664952020e+00 6.8504690982e-01 -1.1664952020e+00 1.2800000000e+04 5.2942632227e-03 9.9882812500e-01
460 -4.5913430411e-01 6.0553464984e-01 -1.1389800692e+00 6.7984576506e-01 -1.1389800692e+00 1.2800000000e+04 5.2944570264e-03 9.9898437500e-01
461 -4.5586923586e-01 8.5999013992e-01 -1.1997021834e+00 7.4383294753e-01 -1.1997021834e+00 1.2800000000e+04 5.2987349023e-03 9.9851562500e-01
462 -4.4977549402e-01 1.3393407219e+00 -1.1681985320e+00 7.1842303801e-01 -1.1681985320e+00 1.2800000000e+04 5.2993926807e-03 9.9890625000e-01
463 -4.6018805166e-01 5.2363415728e-01 -1.1118003555e+00 6.5161230389e-01 -1.1118003555e+00 1.2800000000e+04 5.2970033936e-03 9.9882812500e-01
464 -4.5505105625e-01 4.8473093685e-01 -1.1340423968e+00 6.7899134057e-01 -1.1340423968e+00 1.2800000000e+04 5.2964667285e-03 9.9843750000e-01
465 -4.5009381477e-01 6.8494243588e-01 -1.1915179312e+00 7.4142411641e-01 -1.1915179312e+00 1.2800000000e+04 5.2909210205e-03 9.9843750000e-01
466 -4.3671801872e-01 6.9317756629e-01 -1.2034961880e+00 7.6677816931e-01 -1.2034961880e+00 1.2800000000e+04 5.2962811719e-03 9.9875000000e-01
467 -4.3090526832e-01 5.1876640325e-01 -1.2080228684e+00 7.7711760004e-01 -1.2080228684e+00 1.2800000000e+04 5.2997539844e-03 9.9851562500e-01
468 -4.1221964756e-01 4.6193924429e-01 -1.1849452814e+00 7.7272563385e-01 -1.1849452814e+00 1.2800000000e+04 5.3002912598e-03 9.9906250000e-01
469 -4.5566916321e-01 6.8905599529e-01 -1.2343781495e+00 7.7870898632e-01 -1.2343781495e+00 1.2800000000e+04 5.2970271924e-03 9.9914062500e-01
470 -4.0196407771e-01 5.3340156355e-01 -1.2233993450e+00 8.2143526730e-01 -1.2233993450e+00 1.2800000000e+04 5.2990125684e-03 9.9890625000e-01
471 -4.0929633346e-01 4.9234931859e-01 -1.2289752908e+00 8.1967895731e-01 -1.2289752908e+00 1.2800000000e+04 5.2939190723e-03 9.9812500000e-01
472 -4.6568567447e-01 6.5688420404e-01 -1.2467650885e+00 7.8107941400e-01 -1.2467650885e+00 1.2800000000e+04 5.2963425537e-03 9.9890625000e-01
473 -4.6430311283e-01 5.1678690582e-01 -1.1073137719e+00 6.4301065908e-01 -1.1073137719e+00 1.2800000000e+04 5.3013214844e-03 9.9882812500e-01
474 -4.7733412591e-01 7.2371399893e-01 -1.1124029014e+00 6.3506877548e-01 -1.1124029014e+00 1.2800000000e+04 5.2966837402e-03 9.9882812500e-01
475 -4.7868867363e-01 5.5614549145e-01 -1.1058953314e+00 6.2720665778e-01 -1.1058953314e+00 1.2800000000e+04 5.2978427441e-03 9.9882812500e-01
476 -4.9311978427e-01 1.0313088648e+00 -1.1651643512e+00 6.7204456691e-01 -1.1651643512e+00 1.2800000000e+04 5.2987645166e-03 9.9882812500e-01
477 -4.6905844932e-01 6.5010827690e-01 -1.1702204826e+00 7.0116203328e-01 -1.1702204826e+00 1.2800000000e+04 5.2987305518e-03 9.9882812500e-01
478 -4.4348849627e-01 7.2859586721e-01 -1.2580955753e+00 8.1460707903e-01 -1.2580955753e+00 1.2800000000e+04 5.2986614893e-03 9.9914062500e-01
479 -4.4307077459e-01 6.9202547292e-01 -1.2195094118e+00 7.7643863723e-01 -1.2195094118e+00 1.2800000000e+04 5.2943619189e-03 9.9812500000e-01
480 -4.3895585300e-01 6.9005952958e-01 -1.2093118172e+00 7.7035596419e-01 -1.2093118172e+00 1.2800000000e+04 5.2980547461e-03 9.9914062500e-01
481 -4.3001997389e-01 4.7840257777e-01 -1.1787322254e+00 7.4871225154e-01 -1.1787322254e+00 1.2800000000e+04 5.2938554297e-03 9.9859375000e-01
482 -4.0057852128e-01 6.1294446910e-01 -1.3261907966e+00 9.2561227535e-01 -1.3261907966e+00 1.2800000000e+04 5.3001404102e-03 9.9890625000e-01
483 -4.4582496475e-01 5.5583039032e-01 -1.1692114907e+00 7.2338652592e-01 -1.1692114907e+00 1.2800000000e+04 5.2973609131e-03 9.9859375000e-01
484 -4.5098833345e-01 5.2826153355e-01 -1.1792132928e+00 7.2822495933e-01 -1.1792132928e+00 1.2800000000e+04 5.2975461328e-03 9.9898437500e-01
485 -4.7671088895e-01 1.3246390335e+00 -1.2230926802e+00 7.4638179129e-01 -1.2230926802e+00 1.2800000000e+04 5.3009022461e-03 9.9875000000e-01
486 -4.3189239914e-01 6.5014187607e-01 -1.2472211161e+00 8.1532871691e-01 -1.2472211161e+00 1.2800000000e+04 5.2939415967e-03 9.9812500000e-01
487 -3.9941810371e-01 5.3596494008e-01 -1.2640687589e+00 8.6465065523e-01 -1.2640687589e+00 1.2800000000e+04 5.2982232129e-03 9.9820312500e-01
488 -4.3178354389e-01 5.4052988228e-01 -1.1760668687e+00 7.4428332476e-01 -1.1760668687e+00 1.2800000000e+04 5.2896760059e-03 9.9757812500e-01
489 -4.4745536004e-01 5.6901234581e-01 -1.1933502950e+00 7.4589493496e-01 -1.1933502950e+00 1.2800000000e+04 5.2960426172e-03 9.9820312500e-01
490 -4.7340716129e-01 1.0386816037e+00 -1.2109675510e+00 7.3756038969e-01 -1.2109675510e+00 1.2800000000e+04 5.2979203271e-03 9.9875000000e-01
491 -4.3384011899e-01 5.6767777997e-01 -1.2101351047e+00 7.7629498571e-01 -1.2101351047e+00 1.2800000000e+04 5.2975129932e-03 9.9953125000e-01
492 -4.3924665936e-01 1.3116458178e+00 -1.2906877855e+00 8.5144112613e-01 -1.2906877855e+00 1.2800000000e+04 5.2958271289e-03 9.9851562500e-01
493 -4.7609516648e-01 9.4902342004e-01 -1.2232122090e+00 7.4711704253e-01 -1.2232122090e+00 1.2800000000e+04 5.2964856738e-03 9.9859375000e-01
494 -4.9083539278e-01 6.2825574994e-01 -1.1628687752e+00 6.7203338245e-01 -1.1628687752e+00 1.2800000000e+04 5.2947525000e-03 9.9875000000e-01
495 -4.4523051050e-01 5.2453234457e-01 -1.1471969487e+00 7.0196643823e-01 -1.1471969487e+00 1.2800000000e+04 5.2958079395e-03 9.9843750000e-01
496 -4.4874875331e-01 6.5523984087e-01 -1.2083502792e+00 7.5960152584e-01 -1.2083502792e+00 1.2800000000e+04 5.2997794385e-03 9.9875000000e-01
497 -4.3828019345e-01 6.0152205506e-01 -1.1831850073e+00 7.4490481380e-01 -1.1831850073e+00 1.2800000000e+04 5.2993925586e-03 9.9906250000e-01
498 -4.5849359880e-01 5.6072350119e-01 -1.2014300943e+00 7.4293649550e-01 -1.2014300943e+00 1.2800000000e+04 5.2955823047e-03 9.9851562500e-01
499 -4.4011214078e-01 5.9196276586e-01 -1.1739975795e+00 7.3388543872e-01 -1.1739975795e+00 1.2800000000e+04 5.2943054492e-03 9.9851562500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s010.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.3167112534e-01 6.3027691305e-01 -1.1871715838e+00 7.5550045851e-01 -1.1871715838e+00 1.2800000000e+04 5.3023613916e-03 9.9890625000e-01
1 -4.4667174476e-01 6.2793776176e-01 -1.2542526980e+00 8.0758095322e-01 -1.2542526980e+00 1.2800000000e+04 5.3012924121e-03 9.9968750000e-01
2 -4.2742256898e-01 4.2691515462e-01 -1.1260596961e+00 6.9863712715e-01 -1.1260596961e+00 1.2800000000e+04 5.2964151025e-03 9.9937500000e-01
3 -4.9452855085e-01 6.6304262153e-01 -1.1172909419e+00 6.2276239106e-01 -1.1172909419e+00 1.2800000000e+04 5.3011392969e-03 9.9937500000e-01
4 -4.6635539740e-01 4.8381596037e-01 -1.0830864113e+00 6.1673101394e-01 -1.0830864113e+00 1.2800000000e+04 5.3021239111e-03 9.9984375000e-01
5 -4.6805069254e-01 6.4479329314e-01 -1.1920280270e+00 7.2397733443e-01 -1.1920280270e+00 1.2800000000e+04 5.3024988574e-03 9.9968750000e-01
6 -4.5220250637e-01 7.1983640967e-01 -1.1766173980e+00 7.2441489162e-01 -1.1766173980e+00 1.2800000000e+04 5.2978925098e-03 9.9929687500e-01
7 -4.4127535843e-01 8.4850689999e-01 -1.2475307851e+00 8.0625542669e-01 -1.2475307851e+00 1.2800000000e+04 5.2969409082e-03 9.9960937500e-01
8 -4.1386535823e-01 5.8411070578e-01 -1.2060858887e+00 7.9222053042e-01 -1.2060858887e+00 1.2800000000e+04 5.3018126611e-03 9.9953125000e-01
9 -4.2909622858e-01 5.4048508861e-01 -1.1462888138e+00 7.1719258526e-01 -1.1462888138e+00 1.2800000000e+04 5.3041724023e-03 1.0000000000e+00
10 -4.3580215999e-01 3.3821179350e+00 -1.1887476845e+00 7.5294552449e-01 -1.1887476845e+00 1.2800000000e+04 5.3003638135e-03 9.9929687500e-01
11 -5.1248510419e-01 8.3781681557e-01 -1.1510242661e+00 6.3853916190e-01 -1.1510242661e+00 1.2800000000e+04 5.2970844824e-03 9.9945312500e-01
12 -4.5783760925e-01 5.8514883967e-01 -1.1541229295e+00 6.9628532024e-01 -1.1541229295e+00 1.2800000000e+04 5.3003483350e-03 9.9960937500e-01
13 -4.5752417045e-01 4.5164055442e-01 -1.1220025136e+00 6.6447834318e-01 -1.1220025136e+00 1.2800000000e+04 5.3006177734e-03 9.9968750000e-01
14 -4.4972134645e-01 5.5973734888e-01 -1.1361900842e+00 6.8646873778e-01 -1.1361900842e+00 1.2800000000e+04 5.2954272656e-03 9.9960937500e-01
15 -4.4638374044e-01 7.7944138828e-01 -1.1544631728e+00 7.0807943237e-01 -1.1544631728e+00 1.2800000000e+04 5.2988409229e-03 9.9953125000e-01
16 -4.7176250763e-01 6.9741763263e-01 -1.1730882102e+00 7.0132570256e-01 -1.1730882102e+00 1.2800000000e+04 5.3028876660e-03 9.9984375000e-01
17 -4.6585652792e-01 1.2595768614e+00 -1.0842186299e+00 6.1836210195e-01 -1.0842186299e+00 1.2800000000e+04 5.2977669531e-03 9.9929687500e-01
18 -4.2923382369e-01 4.8788550415e-01 -1.0828936621e+00 6.5365983838e-01 -1.0828936621e+00 1.2800000000e+04 5.3018025244e-03 9.9921875000e-01
19 -4.6393777705e-01 4.8946560321e-01 -1.1018531845e+00 6.3791540743e-01 -1.1018531845e+00 1.2800000000e+04 5.2996711816e-03 9.9960937500e-01
20 -4.9458844183e-01 6.6030391765e-01 -1.0894524988e+00 5.9486405701e-01 -1.0894524988e+00 1.2800000000e+04 5.2969464844e-03 9.9945312500e-01
21 -4.2494839535e-01 4.0679195048e-01 -1.0693454871e+00 6.4439709173e-01 -1.0693454871e+00 1.2800000000e+04 5.2937463525e-03 9.9898437500e-01
22 -4.7187054181e-01 7.0185560477e-01 -1.1312490522e+00 6.5937851034e-01 -1.1312490522e+00 1.2800000000e+04 5.2955376465e-03 9.9914062500e-01
23 -4.9456145370e-01 6.0646969001e-01 -1.1339775611e+00 6.3941610741e-01 -1.1339775611e+00 1.2800000000e+04 5.2982616846e-03 9.9937500000e-01
24 -4.9813677850e-01 6.0525932299e-01 -1.1204104588e+00 6.2227368031e-01 -1.1204104588e+00 1.2800000000e+04 5.2966909473e-03 9.9945312500e-01
25 -4.8617299514e-01 6.3545675606e-01 -1.1027819641e+00 6.1660896900e-01 -1.1027819641e+00 1.2800000000e+04 5.2974055273e-03 9.9945312500e-01
26 -5.0192318366e-01 8.3525206183e-01 -1.1488347948e+00 6.4691161113e-01 -1.1488347948e+00 1.2800000000e+04 5.2979817285e-03 9.9976562500e-01
27 -4.5381093303e-01 9.4283217826e-01 -1.0930704048e+00 6.3925947173e-01 -1.0930704048e+00 1.2800000000e+04 5.2980339062e-03 9.9898437500e-01
28 -4.4454177538e-01 6.9826590601e-01 -1.2073400472e+00 7.6279827186e-01 -1.2073400472e+00 1.2800000000e+04 5.2978150098e-03 9.9945312500e-01
29 -4.3355049980e-01 6.2381081296e-01 -1.2092992504e+00 7.7574875059e-01 -1.2092992504e+00 1.2800000000e+04 5.2975252100e-03 9.9945312500e-01
30 -4.6061907487e-01 7.2608008988e-01 -1.2292726936e+00 7.6865361875e-01 -1.2292726936e+00 1.2800000000e+04 5.3031381494e-03 9.9984375000e-01
31 -4.6558683892e-01 8.2796288567e-01 -1.2645061336e+00 7.9891929471e-01 -1.2645061336e+00 1.2800000000e+04 5.3003263428e-03 9.9968750000e-01
32 -4.4693714814e-01 7.4547950408e-01 -1.3065132759e+00 8.5957612771e-01 -1.3065132759e+00 1.2800000000e+04 5.2977625830e-03 9.9953125000e-01
33 -4.3345681456e-01 6.8114740529e-01 -1.2453449305e+00 8.1188811593e-01 -1.2453449305e+00 1.2800000000e+04 5.2992706494e-03 9.9953125000e-01
34 -4.4721792067e-01 7.8260694666e-01 -1.2029107060e+00 7.5569278532e-01 -1.2029107060e+00 1.2800000000e+04 5.2950781445e-03 9.9945312500e-01
35 -4.6479698248e-01 7.3862948387e-01 -1.1934566262e+00 7.2865964369e-01 -1.1934566262e+00 1.2800000000e+04 5.3017234424e-03 9.9953125000e-01
36 -4.8650690530e-01 8.1320724994e-01 -1.2388822252e+00 7.5237531989e-01 -1.2388822252e+00 1.2800000000e+04 5.2978475781e-03 9.9968750000e-01
37 -4.2805835310e-01 5.3094387492e-01 -1.1783089326e+00 7.5025057952e-01 -1.1783089326e+00 1.2800000000e+04 5.3001924854e-03 9.9929687500e-01
38 -4.2992619881e-01 7.1631795531e-01 -1.2472070574e+00 8.1728085859e-01 -1.2472070574e+00 1.2800000000e+04 5.3062563379e-03 9.9968750000e-01
39 -4.4907796079e-01 5.3942308362e-01 -1.1778911357e+00 7.2881317486e-01 -1.1778911357e+00 1.2800000000e+04 5.3013289404e-03 9.9968750000e-01
40 -4.6252420073e-01 6.9379724163e-01 -1.1969698183e+00 7.3444561755e-01 -1.1969698183e+00 1.2800000000e+04 5.3034644873e-03 9.9921875000e-01
41 -4.7118016357e-01 8.7225298197e-01 -1.2330279402e+00 7.6184777664e-01 -1.2330279402e+00 1.2800000000e+04 5.3003369922e-03 9.9937500000e-01
42 -4.6396611500e-01 6.5685787833e-01 -1.2348484397e+00 7.7088232474e-01 -1.2348484397e+00 1.2800000000e+04 5.2995575684e-03 9.9953125000e-01
43 -4.5481970514e-01 8.8901193157e-01 -1.2067401290e+00 7.5192042385e-01 -1.2067401290e+00 1.2800000000e+04 5.3039280762e-03 9.9960937500e-01
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458 -4.6147637536e-01 7.7323735073e-01 -1.2880499885e+00 8.2657361310e-01 -1.2880499885e+00 1.2800000000e+04 5.2974680420e-03 9.9929687500e-01
459 -4.5594996381e-01 5.9236950930e-01 -1.2083280199e+00 7.5237805611e-01 -1.2083280199e+00 1.2800000000e+04 5.2983056445e-03 9.9921875000e-01
460 -4.5054114934e-01 7.3244493295e-01 -1.2017225413e+00 7.5118139194e-01 -1.2017225413e+00 1.2800000000e+04 5.3049615967e-03 9.9953125000e-01
461 -4.5195643849e-01 4.4754414899e-01 -1.1333790733e+00 6.8142263477e-01 -1.1333790733e+00 1.2800000000e+04 5.3009117920e-03 9.9914062500e-01
462 -4.4493026223e-01 6.6406283161e-01 -1.2630484699e+00 8.1811820770e-01 -1.2630484699e+00 1.2800000000e+04 5.3000507129e-03 9.9976562500e-01
463 -4.3198355143e-01 5.0069571989e-01 -1.1723158888e+00 7.4033233741e-01 -1.1723158888e+00 1.2800000000e+04 5.2988603418e-03 9.9960937500e-01
464 -4.8123291710e-01 1.5905795397e+00 -1.2052887120e+00 7.2405579491e-01 -1.2052887120e+00 1.2800000000e+04 5.3017946289e-03 9.9953125000e-01
465 -4.5231513447e-01 5.8840025582e-01 -1.1549103083e+00 7.0259517380e-01 -1.1549103083e+00 1.2800000000e+04 5.3032384277e-03 9.9960937500e-01
466 -4.7125113424e-01 8.3445133627e-01 -1.1374503314e+00 6.6619919720e-01 -1.1374503314e+00 1.2800000000e+04 5.3018101562e-03 9.9960937500e-01
467 -4.7506870991e-01 9.1651507506e-01 -1.2595017993e+00 7.8443308940e-01 -1.2595017993e+00 1.2800000000e+04 5.2986598633e-03 9.9945312500e-01
468 -4.7862336496e-01 7.6445564123e-01 -1.2626776954e+00 7.8405433045e-01 -1.2626776954e+00 1.2800000000e+04 5.3032918457e-03 9.9976562500e-01
469 -4.7295150819e-01 7.5957375434e-01 -1.1679013531e+00 6.9494984487e-01 -1.1679013531e+00 1.2800000000e+04 5.3015255127e-03 9.9945312500e-01
470 -4.9367374191e-01 5.8857519780e-01 -1.1661730010e+00 6.7249925906e-01 -1.1661730010e+00 1.2800000000e+04 5.3022033447e-03 9.9937500000e-01
471 -4.7867911663e-01 6.8183728269e-01 -1.1799333859e+00 7.0125426932e-01 -1.1799333859e+00 1.2800000000e+04 5.3009488477e-03 9.9976562500e-01
472 -4.3053892320e-01 6.0723148297e-01 -1.1831449766e+00 7.5260605342e-01 -1.1831449766e+00 1.2800000000e+04 5.3013948633e-03 9.9914062500e-01
473 -4.5959710574e-01 6.0564445760e-01 -1.1823093579e+00 7.2271225217e-01 -1.1823093579e+00 1.2800000000e+04 5.3037038965e-03 9.9992187500e-01
474 -4.8292525073e-01 8.4690762599e-01 -1.2583988925e+00 7.7547364175e-01 -1.2583988925e+00 1.2800000000e+04 5.3039710400e-03 9.9937500000e-01
475 -4.4344110873e-01 6.5341622843e-01 -1.2689012047e+00 8.2546009594e-01 -1.2689012047e+00 1.2800000000e+04 5.3025772363e-03 9.9960937500e-01
476 -4.5527112613e-01 6.8153654607e-01 -1.1876602485e+00 7.3238912234e-01 -1.1876602485e+00 1.2800000000e+04 5.3014429834e-03 9.9953125000e-01
477 -4.3360837669e-01 5.1155074551e-01 -1.1727400720e+00 7.3913169527e-01 -1.1727400720e+00 1.2800000000e+04 5.3039248486e-03 9.9945312500e-01
478 -4.2968737445e-01 4.3494671950e-01 -1.0789417827e+00 6.4925440823e-01 -1.0789417827e+00 1.2800000000e+04 5.3006713232e-03 9.9945312500e-01
479 -4.4997779383e-01 5.1279088557e-01 -1.1622712327e+00 7.1229343889e-01 -1.1622712327e+00 1.2800000000e+04 5.3018318262e-03 9.9960937500e-01
480 -4.2248188054e-01 5.4325746365e-01 -1.1561654234e+00 7.3368354289e-01 -1.1561654234e+00 1.2800000000e+04 5.3013563525e-03 9.9968750000e-01
481 -4.6895104604e-01 6.1343229239e-01 -1.1051361596e+00 6.3618511358e-01 -1.1051361596e+00 1.2800000000e+04 5.3017751074e-03 9.9960937500e-01
482 -4.6143134895e-01 5.5177124097e-01 -1.1455932324e+00 6.8416188341e-01 -1.1455932324e+00 1.2800000000e+04 5.3044189160e-03 1.0000000000e+00
483 -4.4232130734e-01 1.0918460562e+00 -1.2892971693e+00 8.4697586200e-01 -1.2892971693e+00 1.2800000000e+04 5.3055316846e-03 9.9945312500e-01
484 -4.3661506361e-01 5.8660870189e-01 -1.2551434654e+00 8.1852840183e-01 -1.2551434654e+00 1.2800000000e+04 5.2998452246e-03 9.9945312500e-01
485 -4.4342237884e-01 6.5647742153e-01 -1.2015071186e+00 7.5808473979e-01 -1.2015071186e+00 1.2800000000e+04 5.3029020947e-03 9.9960937500e-01
486 -4.6316921065e-01 1.0025014237e+00 -1.2531315773e+00 7.8996236669e-01 -1.2531315773e+00 1.2800000000e+04 5.3024145605e-03 9.9953125000e-01
487 -4.5862498852e-01 6.9385738469e-01 -1.2564224946e+00 7.9779750603e-01 -1.2564224946e+00 1.2800000000e+04 5.2995397070e-03 9.9890625000e-01
488 -3.9836490075e-01 5.8968415342e-01 -1.2598338415e+00 8.6146894075e-01 -1.2598338415e+00 1.2800000000e+04 5.3007399316e-03 9.9953125000e-01
489 -4.2567664636e-01 4.9299855260e-01 -1.2004290017e+00 7.7475235533e-01 -1.2004290017e+00 1.2800000000e+04 5.3041417383e-03 9.9976562500e-01
490 -4.2884779805e-01 4.9829836270e-01 -1.1666246379e+00 7.3777683986e-01 -1.1666246379e+00 1.2800000000e+04 5.2990306299e-03 9.9937500000e-01
491 -4.7718868447e-01 5.3410229695e-01 -1.1301543249e+00 6.5296564039e-01 -1.1301543249e+00 1.2800000000e+04 5.2996755518e-03 9.9960937500e-01
492 -4.6564404220e-01 6.6261458213e-01 -1.1499369371e+00 6.8429289488e-01 -1.1499369371e+00 1.2800000000e+04 5.3002850586e-03 9.9968750000e-01
493 -4.4109551084e-01 5.5152072812e-01 -1.1074524810e+00 6.6635697015e-01 -1.1074524810e+00 1.2800000000e+04 5.3017573145e-03 9.9921875000e-01
494 -4.4225675663e-01 5.3122605718e-01 -1.2107359192e+00 7.6847916255e-01 -1.2107359192e+00 1.2800000000e+04 5.2993154590e-03 9.9937500000e-01
495 -4.3192448854e-01 4.9732306639e-01 -1.1978861678e+00 7.6596167922e-01 -1.1978861678e+00 1.2800000000e+04 5.3002828125e-03 9.9953125000e-01
496 -4.6028993007e-01 7.2476362374e-01 -1.2084226764e+00 7.4813274629e-01 -1.2084226764e+00 1.2800000000e+04 5.3022433740e-03 9.9976562500e-01
497 -4.8121457345e-01 9.0401250408e-01 -1.1832033462e+00 7.0198877271e-01 -1.1832033462e+00 1.2800000000e+04 5.3058887744e-03 9.9953125000e-01
498 -4.5479877511e-01 7.3369711355e-01 -1.1970018294e+00 7.4220305429e-01 -1.1970018294e+00 1.2800000000e+04 5.3039242725e-03 9.9960937500e-01
499 -5.0269357151e-01 6.7003443580e-01 -1.1157257938e+00 6.1303222231e-01 -1.1157257938e+00 1.2800000000e+04 5.3071293311e-03 9.9960937500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s011.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.7470689844e-01 6.0467775332e-01 -1.0723593934e+00 5.9765249496e-01 -1.0723593934e+00 1.2800000000e+04 5.3105129248e-03 1.0000000000e+00
1 -4.7264536888e-01 7.0314409137e-01 -1.1066758135e+00 6.3403044466e-01 -1.1066758135e+00 1.2800000000e+04 5.3017511230e-03 9.9976562500e-01
2 -4.8522921191e-01 6.2659236779e-01 -1.1541425921e+00 6.6891338024e-01 -1.1541425921e+00 1.2800000000e+04 5.3028216357e-03 9.9992187500e-01
3 -4.0560430934e-01 4.3813609832e-01 -1.1188376722e+00 7.1323336287e-01 -1.1188376722e+00 1.2800000000e+04 5.3041765137e-03 9.9992187500e-01
4 -4.2774857777e-01 4.3974659013e-01 -1.1638110689e+00 7.3606249109e-01 -1.1638110689e+00 1.2800000000e+04 5.3015507324e-03 9.9976562500e-01
5 -4.6931108181e-01 7.6657874399e-01 -1.1732855136e+00 7.0397443177e-01 -1.1732855136e+00 1.2800000000e+04 5.2968424023e-03 9.9984375000e-01
6 -3.8464141982e-01 3.4055707259e-01 -1.1478500659e+00 7.6320864612e-01 -1.1478500659e+00 1.2800000000e+04 5.3033476172e-03 9.9976562500e-01
7 -4.3064146176e-01 5.2532206662e-01 -1.2012296396e+00 7.7058817783e-01 -1.2012296396e+00 1.2800000000e+04 5.2973070117e-03 9.9976562500e-01
8 -4.5261054620e-01 8.4890861278e-01 -1.2735736140e+00 8.2096306781e-01 -1.2735736140e+00 1.2800000000e+04 5.3006875244e-03 9.9992187500e-01
9 -4.2012424072e-01 6.4564264900e-01 -1.2864893666e+00 8.6636512589e-01 -1.2864893666e+00 1.2800000000e+04 5.2986087061e-03 9.9984375000e-01
10 -4.7882104699e-01 7.0771775539e-01 -1.2685147569e+00 7.8969370992e-01 -1.2685147569e+00 1.2800000000e+04 5.2990826025e-03 9.9992187500e-01
11 -5.0074061404e-01 1.0149669597e+00 -1.3161440423e+00 8.1540342828e-01 -1.3161440423e+00 1.2800000000e+04 5.2988150830e-03 9.9984375000e-01
12 -4.3718897833e-01 5.4811338748e-01 -1.1502289746e+00 7.1303999631e-01 -1.1502289746e+00 1.2800000000e+04 5.2969321240e-03 1.0000000000e+00
13 -4.5678042061e-01 4.8095405953e-01 -1.1851844942e+00 7.2840407356e-01 -1.1851844942e+00 1.2800000000e+04 5.2996627490e-03 9.9968750000e-01
14 -4.7912216739e-01 7.3098757006e-01 -1.1874170320e+00 7.0829486456e-01 -1.1874170320e+00 1.2800000000e+04 5.3006928711e-03 9.9992187500e-01
15 -4.6459010390e-01 1.0708951161e+00 -1.2092566325e+00 7.4466652864e-01 -1.2092566325e+00 1.2800000000e+04 5.3012430469e-03 1.0000000000e+00
16 -4.6945246028e-01 6.5118082878e-01 -1.1940825284e+00 7.2463006816e-01 -1.1940825284e+00 1.2800000000e+04 5.3023070068e-03 9.9992187500e-01
17 -4.7059927352e-01 8.8706572049e-01 -1.1976971293e+00 7.2709785575e-01 -1.1976971293e+00 1.2800000000e+04 5.2994857861e-03 9.9984375000e-01
18 -4.9101297184e-01 7.1378750970e-01 -1.2442696919e+00 7.5325672005e-01 -1.2442696919e+00 1.2800000000e+04 5.3000279736e-03 9.9976562500e-01
19 -4.9321766844e-01 7.6827237511e-01 -1.1920544162e+00 6.9883674780e-01 -1.1920544162e+00 1.2800000000e+04 5.3018382617e-03 1.0000000000e+00
20 -4.5873493600e-01 3.7011828101e+00 -1.1279043122e+00 6.6916937615e-01 -1.1279043122e+00 1.2800000000e+04 5.3001693164e-03 9.9984375000e-01
21 -4.3112011516e-01 4.7973574469e-01 -1.1240529145e+00 6.9293279937e-01 -1.1240529145e+00 1.2800000000e+04 5.3016605615e-03 9.9984375000e-01
22 -5.1328532668e-01 7.5746392560e-01 -1.1852178173e+00 6.7193249061e-01 -1.1852178173e+00 1.2800000000e+04 5.2998095850e-03 1.0000000000e+00
23 -4.7653919914e-01 5.0036548854e-01 -1.1444645155e+00 6.6792531635e-01 -1.1444645155e+00 1.2800000000e+04 5.3010166064e-03 9.9992187500e-01
24 -4.5139784874e-01 6.1816555478e-01 -1.1681868210e+00 7.1678897224e-01 -1.1681868210e+00 1.2800000000e+04 5.3071111719e-03 9.9992187500e-01
25 -4.9121842571e-01 8.5333006033e-01 -1.2444489482e+00 7.5323052252e-01 -1.2444489482e+00 1.2800000000e+04 5.2994552246e-03 9.9960937500e-01
26 -4.0345485850e-01 7.9753717865e-01 -1.2266075503e+00 8.2315269183e-01 -1.2266075503e+00 1.2800000000e+04 5.3001233008e-03 9.9992187500e-01
27 -4.6328765812e-01 1.0392871570e+00 -1.2694800057e+00 8.0619234761e-01 -1.2694800057e+00 1.2800000000e+04 5.3010720361e-03 1.0000000000e+00
28 -4.1013864362e-01 3.8591151990e-01 -1.1944851184e+00 7.8434647473e-01 -1.1944851184e+00 1.2800000000e+04 5.3013472852e-03 1.0000000000e+00
29 -4.4134459576e-01 7.5766288547e-01 -1.2797778836e+00 8.3843328788e-01 -1.2797778836e+00 1.2800000000e+04 5.2995651904e-03 9.9976562500e-01
30 -5.2554650550e-01 1.9225189174e+00 -1.3531775218e+00 8.2763101634e-01 -1.3531775218e+00 1.2800000000e+04 5.2998680615e-03 9.9992187500e-01
31 -4.6670357631e-01 1.2290481059e+00 -1.2159330329e+00 7.4922945659e-01 -1.2159330329e+00 1.2800000000e+04 5.3021666113e-03 1.0000000000e+00
32 -4.3303156311e-01 6.9609318686e-01 -1.1877847363e+00 7.5475317319e-01 -1.1877847363e+00 1.2800000000e+04 5.2996447559e-03 9.9992187500e-01
33 -4.8927073168e-01 1.6307731355e+00 -1.2594972480e+00 7.7022651634e-01 -1.2594972480e+00 1.2800000000e+04 5.3004871484e-03 9.9984375000e-01
34 -4.8758324479e-01 6.7169930329e-01 -1.2183257054e+00 7.3074246065e-01 -1.2183257054e+00 1.2800000000e+04 5.3012095996e-03 9.9984375000e-01
35 -4.9238782688e-01 5.1436171030e-01 -1.0629640199e+00 5.7057619299e-01 -1.0629640199e+00 1.2800000000e+04 5.3039295215e-03 1.0000000000e+00
36 -4.6622125831e-01 4.5124904787e-01 -1.0396254179e+00 5.7340415958e-01 -1.0396254179e+00 1.2800000000e+04 5.3020909570e-03 9.9968750000e-01
37 -4.9016073041e-01 6.6002938947e-01 -1.0804179825e+00 5.9025725213e-01 -1.0804179825e+00 1.2800000000e+04 5.2960787109e-03 9.9968750000e-01
38 -4.9751265796e-01 6.7128385818e-01 -1.1283024682e+00 6.3078981022e-01 -1.1283024682e+00 1.2800000000e+04 5.3054516504e-03 9.9976562500e-01
39 -4.7674249703e-01 5.7090078041e-01 -1.1815137751e+00 7.0477127805e-01 -1.1815137751e+00 1.2800000000e+04 5.3027597559e-03 9.9984375000e-01
40 -4.5546938011e-01 4.8104026278e-01 -1.1706640086e+00 7.1519462850e-01 -1.1706640086e+00 1.2800000000e+04 5.2992530322e-03 9.9992187500e-01
41 -4.6316724217e-01 7.8809409780e-01 -1.1670786534e+00 7.0391141128e-01 -1.1670786534e+00 1.2800000000e+04 5.3010221875e-03 1.0000000000e+00
42 -4.6412978228e-01 6.7044847727e-01 -1.1798555517e+00 7.1572576944e-01 -1.1798555517e+00 1.2800000000e+04 5.2966951855e-03 9.9984375000e-01
43 -4.7965925326e-01 7.8822470303e-01 -1.2068381760e+00 7.2717892269e-01 -1.2068381760e+00 1.2800000000e+04 5.2991966162e-03 9.9976562500e-01
44 -4.2804087784e-01 4.4538706509e-01 -1.1409008474e+00 7.1285996956e-01 -1.1409008474e+00 1.2800000000e+04 5.3018295312e-03 9.9976562500e-01
45 -4.4662839967e-01 6.3066553674e-01 -1.1872580690e+00 7.4062966938e-01 -1.1872580690e+00 1.2800000000e+04 5.3026026611e-03 9.9992187500e-01
46 -4.5265809638e-01 5.2832898151e-01 -1.1583307021e+00 7.0567260568e-01 -1.1583307021e+00 1.2800000000e+04 5.2984406104e-03 1.0000000000e+00
47 -4.8404985938e-01 1.6826295382e+00 -1.1511849835e+00 6.6713512416e-01 -1.1511849835e+00 1.2800000000e+04 5.3051690869e-03 9.9992187500e-01
48 -5.3378426074e-01 8.2239548903e-01 -1.1569983025e+00 6.2321404173e-01 -1.1569983025e+00 1.2800000000e+04 5.3012350195e-03 9.9992187500e-01
49 -4.6764378234e-01 6.4538097452e-01 -1.1320989248e+00 6.6445514248e-01 -1.1320989248e+00 1.2800000000e+04 5.3066761182e-03 9.9992187500e-01
50 -5.2027872336e-01 1.8973925699e+00 -1.2462335494e+00 7.2595482608e-01 -1.2462335494e+00 1.2800000000e+04 5.3069386230e-03 9.9992187500e-01
51 -4.1778567917e-01 4.9877092536e-01 -1.1675890647e+00 7.4980338558e-01 -1.1675890647e+00 1.2800000000e+04 5.3046842871e-03 1.0000000000e+00
52 -4.6375735251e-01 1.1780201928e+00 -1.2156252458e+00 7.5186789334e-01 -1.2156252458e+00 1.2800000000e+04 5.3058674512e-03 9.9968750000e-01
53 -4.5219450240e-01 4.8462223299e-01 -1.1610621264e+00 7.0886762395e-01 -1.1610621264e+00 1.2800000000e+04 5.3062731934e-03 9.9992187500e-01
54 -4.1835838424e-01 7.3596780691e-01 -1.2769517551e+00 8.5859337089e-01 -1.2769517551e+00 1.2800000000e+04 5.3040938770e-03 9.9992187500e-01
55 -4.4529711509e-01 1.4097397423e+00 -1.3746523697e+00 9.2935525464e-01 -1.3746523697e+00 1.2800000000e+04 5.2979375391e-03 9.9984375000e-01
56 -4.2314449724e-01 5.3898269481e-01 -1.2936688469e+00 8.7052434963e-01 -1.2936688469e+00 1.2800000000e+04 5.3075923779e-03 1.0000000000e+00
57 -5.0090625225e-01 1.1950457391e+00 -1.3854511379e+00 8.8454488565e-01 -1.3854511379e+00 1.2800000000e+04 5.3006234619e-03 9.9976562500e-01
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473 -4.1621935740e-01 4.4491276889e-01 -1.0904126061e+00 6.7419324871e-01 -1.0904126061e+00 1.2800000000e+04 5.3001947705e-03 9.9976562500e-01
474 -4.4102546322e-01 4.6745468823e-01 -1.1153917323e+00 6.7436626911e-01 -1.1153917323e+00 1.2800000000e+04 5.3020772559e-03 9.9976562500e-01
475 -4.1798729357e-01 4.9293096061e-01 -1.1759352202e+00 7.5794792660e-01 -1.1759352202e+00 1.2800000000e+04 5.3044334326e-03 9.9992187500e-01
476 -4.4714009595e-01 6.2457566519e-01 -1.2365345334e+00 7.8939443741e-01 -1.2365345334e+00 1.2800000000e+04 5.2992135010e-03 9.9960937500e-01
477 -4.8732423864e-01 1.1580525994e+00 -1.2298294069e+00 7.4250516823e-01 -1.2298294069e+00 1.2800000000e+04 5.2992269727e-03 9.9992187500e-01
478 -4.5624701629e-01 8.4873025077e-01 -1.2859543705e+00 8.2970735418e-01 -1.2859543705e+00 1.2800000000e+04 5.3028834717e-03 9.9992187500e-01
479 -4.0892689609e-01 5.6420924812e-01 -1.2192907701e+00 8.1036387400e-01 -1.2192907701e+00 1.2800000000e+04 5.3008190381e-03 9.9992187500e-01
480 -4.2299583121e-01 5.7262434544e-01 -1.1895842550e+00 7.6658842382e-01 -1.1895842550e+00 1.2800000000e+04 5.3056030420e-03 1.0000000000e+00
481 -3.9121702566e-01 5.4453155597e-01 -1.2112124749e+00 8.1999544927e-01 -1.2112124749e+00 1.2800000000e+04 5.3047305273e-03 9.9992187500e-01
482 -3.9178878979e-01 5.0175034924e-01 -1.2506550410e+00 8.5886625122e-01 -1.2506550410e+00 1.2800000000e+04 5.3034188379e-03 9.9992187500e-01
483 -4.7677149385e-01 1.6109985641e+00 -1.3046751339e+00 8.2790364007e-01 -1.3046751339e+00 1.2800000000e+04 5.3032113379e-03 1.0000000000e+00
484 -4.4869816527e-01 6.2521317614e-01 -1.2625239501e+00 8.1382578479e-01 -1.2625239501e+00 1.2800000000e+04 5.3051256494e-03 9.9984375000e-01
485 -4.5608668761e-01 8.8276384247e-01 -1.2125806001e+00 7.5649391245e-01 -1.2125806001e+00 1.2800000000e+04 5.3055125098e-03 9.9976562500e-01
486 -4.3513545509e-01 5.1135627427e-01 -1.1769998410e+00 7.4186438595e-01 -1.1769998410e+00 1.2800000000e+04 5.3046881641e-03 9.9992187500e-01
487 -4.3061029296e-01 5.2158798519e-01 -1.2327088303e+00 8.0209853729e-01 -1.2327088303e+00 1.2800000000e+04 5.3024104199e-03 9.9984375000e-01
488 -4.1461065216e-01 7.3986288315e-01 -1.2688688143e+00 8.5425816218e-01 -1.2688688143e+00 1.2800000000e+04 5.3045557861e-03 9.9976562500e-01
489 -4.0174636297e-01 5.9838343601e-01 -1.3260757421e+00 9.2432937911e-01 -1.3260757421e+00 1.2800000000e+04 5.3003127197e-03 9.9992187500e-01
490 -4.1428723360e-01 5.6421000046e-01 -1.2637292752e+00 8.4944204163e-01 -1.2637292752e+00 1.2800000000e+04 5.3017495264e-03 9.9968750000e-01
491 -4.3601815701e-01 1.0863186772e+00 -1.2484295495e+00 8.1241139252e-01 -1.2484295495e+00 1.2800000000e+04 5.3039864648e-03 9.9992187500e-01
492 -4.4856899455e-01 5.2325010448e-01 -1.1740915310e+00 7.2552253643e-01 -1.1740915310e+00 1.2800000000e+04 5.3021746729e-03 9.9992187500e-01
493 -4.8700999994e-01 6.3939486276e-01 -1.1519482554e+00 6.6493825543e-01 -1.1519482554e+00 1.2800000000e+04 5.3023047803e-03 9.9960937500e-01
494 -4.1800644687e-01 5.1521769778e-01 -1.1858372829e+00 7.6783083600e-01 -1.1858372829e+00 1.2800000000e+04 5.3033792041e-03 9.9984375000e-01
495 -4.2899927091e-01 4.2439974316e-01 -1.1312198871e+00 7.0222061624e-01 -1.1312198871e+00 1.2800000000e+04 5.3032341162e-03 1.0000000000e+00
496 -4.5152719069e-01 6.2047339662e-01 -1.1451948515e+00 6.9366766082e-01 -1.1451948515e+00 1.2800000000e+04 5.3021802881e-03 9.9968750000e-01
497 -4.6722260817e-01 5.8681783516e-01 -1.1753131183e+00 7.0809051017e-01 -1.1753131183e+00 1.2800000000e+04 5.3038528174e-03 9.9984375000e-01
498 -4.3408473998e-01 5.3862049452e-01 -1.2114678078e+00 7.7738306785e-01 -1.2114678078e+00 1.2800000000e+04 5.3057455859e-03 1.0000000000e+00
499 -4.9771694751e-01 1.1582454408e+00 -1.2970841268e+00 7.9936717929e-01 -1.2970841268e+00 1.2800000000e+04 5.3034384912e-03 9.9992187500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s012.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5220846096e-01 5.9060846426e-01 -1.1936034532e+00 7.4139499227e-01 -1.1936034532e+00 1.2800000000e+04 5.3098346436e-03 1.0000000000e+00
1 -4.5061331390e-01 9.9149936919e-01 -1.2659082669e+00 8.1529495299e-01 -1.2659082669e+00 1.2800000000e+04 5.3048737793e-03 1.0000000000e+00
2 -4.1207246259e-01 4.1041089864e-01 -1.1407112101e+00 7.2863874754e-01 -1.1407112101e+00 1.2800000000e+04 5.3032655078e-03 1.0000000000e+00
3 -4.8105674801e-01 7.1302857883e-01 -1.2215033378e+00 7.4044658983e-01 -1.2215033378e+00 1.2800000000e+04 5.3048364258e-03 1.0000000000e+00
4 -4.4702441596e-01 5.2481987042e-01 -1.1719255282e+00 7.2490111220e-01 -1.1719255282e+00 1.2800000000e+04 5.3043629590e-03 1.0000000000e+00
5 -4.3658687357e-01 4.3913950244e-01 -1.1015742752e+00 6.6498740162e-01 -1.1015742752e+00 1.2800000000e+04 5.3020199268e-03 1.0000000000e+00
6 -4.4119653852e-01 5.6975543330e-01 -1.1209529960e+00 6.7975645748e-01 -1.1209529960e+00 1.2800000000e+04 5.3005983398e-03 1.0000000000e+00
7 -4.3949522727e-01 5.6899194953e-01 -1.1771447992e+00 7.3764957191e-01 -1.1771447992e+00 1.2800000000e+04 5.3022883691e-03 1.0000000000e+00
8 -4.2738756999e-01 5.6690031796e-01 -1.2205792213e+00 7.9319165127e-01 -1.2205792213e+00 1.2800000000e+04 5.3005528760e-03 9.9984375000e-01
9 -4.5242479220e-01 7.9190453909e-01 -1.3024667372e+00 8.5004194503e-01 -1.3024667372e+00 1.2800000000e+04 5.3032773193e-03 9.9992187500e-01
10 -5.1470030128e-01 1.3114300437e+00 -1.3365241925e+00 8.2182389126e-01 -1.3365241925e+00 1.2800000000e+04 5.3037526367e-03 1.0000000000e+00
11 -4.3156214329e-01 6.9015264004e-01 -1.2897459901e+00 8.5818384679e-01 -1.2897459901e+00 1.2800000000e+04 5.3013600098e-03 9.9992187500e-01
12 -4.3946925662e-01 1.2792672498e+00 -1.2950760681e+00 8.5560681152e-01 -1.2950760681e+00 1.2800000000e+04 5.3024273437e-03 1.0000000000e+00
13 -4.5302001119e-01 7.5289332466e-01 -1.2893141510e+00 8.3629413981e-01 -1.2893141510e+00 1.2800000000e+04 5.3030710791e-03 9.9992187500e-01
14 -4.1820919344e-01 8.4552983461e-01 -1.2636986532e+00 8.4548945975e-01 -1.2636986532e+00 1.2800000000e+04 5.3022826514e-03 9.9992187500e-01
15 -3.5670491287e-01 4.3913549652e-01 -1.2129079193e+00 8.5620300644e-01 -1.2129079193e+00 1.2800000000e+04 5.3005236670e-03 9.9976562500e-01
16 -4.1430041465e-01 5.3010334590e-01 -1.2232214553e+00 8.0892104066e-01 -1.2232214553e+00 1.2800000000e+04 5.3025529932e-03 1.0000000000e+00
17 -4.0973448644e-01 6.4305788055e-01 -1.2373032726e+00 8.2756878611e-01 -1.2373032726e+00 1.2800000000e+04 5.3060269580e-03 1.0000000000e+00
18 -4.0589688783e-01 6.2970918243e-01 -1.1888073347e+00 7.8291044692e-01 -1.1888073347e+00 1.2800000000e+04 5.3052883691e-03 1.0000000000e+00
19 -4.0454831219e-01 6.4107873939e-01 -1.1750014420e+00 7.7045312981e-01 -1.1750014420e+00 1.2800000000e+04 5.3003013428e-03 9.9992187500e-01
20 -4.1747458552e-01 4.8802916926e-01 -1.2322011588e+00 8.1472657328e-01 -1.2322011588e+00 1.2800000000e+04 5.2984307910e-03 1.0000000000e+00
21 -4.1869953572e-01 4.4358083499e-01 -1.1469857305e+00 7.2828619477e-01 -1.1469857305e+00 1.2800000000e+04 5.3051382422e-03 1.0000000000e+00
22 -4.5184657623e-01 7.3771188925e-01 -1.2208086927e+00 7.6896211647e-01 -1.2208086927e+00 1.2800000000e+04 5.3038963086e-03 9.9992187500e-01
23 -4.2256780247e-01 6.8474069460e-01 -1.1696606031e+00 7.4709280060e-01 -1.1696606031e+00 1.2800000000e+04 5.3026488867e-03 9.9992187500e-01
24 -4.1294283685e-01 6.7503640898e-01 -1.1868740510e+00 7.7393121417e-01 -1.1868740510e+00 1.2800000000e+04 5.3026577246e-03 1.0000000000e+00
25 -4.3578201645e-01 5.1380977665e-01 -1.2134624822e+00 7.7768046576e-01 -1.2134624822e+00 1.2800000000e+04 5.3037116602e-03 9.9992187500e-01
26 -3.9972287135e-01 4.1233471671e-01 -1.1580155017e+00 7.5829263039e-01 -1.1580155017e+00 1.2800000000e+04 5.3020307813e-03 1.0000000000e+00
27 -4.1326731848e-01 3.8240623019e-01 -1.1546954673e+00 7.4142814879e-01 -1.1546954673e+00 1.2800000000e+04 5.3002152686e-03 1.0000000000e+00
28 -4.9595873555e-01 7.8920473023e-01 -1.2472959322e+00 7.5133719662e-01 -1.2472959322e+00 1.2800000000e+04 5.3024357666e-03 1.0000000000e+00
29 -4.6298798617e-01 7.0924861181e-01 -1.1723173205e+00 7.0932933431e-01 -1.1723173205e+00 1.2800000000e+04 5.3042264355e-03 9.9992187500e-01
30 -4.2645456914e-01 3.5076483817e-01 -1.1084560539e+00 6.8200148474e-01 -1.1084560539e+00 1.2800000000e+04 5.3008318457e-03 9.9992187500e-01
31 -4.1221860132e-01 1.4672297568e+00 -1.1280562023e+00 7.1583760095e-01 -1.1280562023e+00 1.2800000000e+04 5.3037312793e-03 1.0000000000e+00
32 -3.9409345838e-01 4.6247631028e-01 -1.1678551615e+00 7.7376170316e-01 -1.1678551615e+00 1.2800000000e+04 5.3046371777e-03 1.0000000000e+00
33 -4.2521775476e-01 5.1313313664e-01 -1.2581579361e+00 8.3294018132e-01 -1.2581579361e+00 1.2800000000e+04 5.3020123633e-03 9.9984375000e-01
34 -4.4631513862e-01 9.3461547779e-01 -1.2466054222e+00 8.0029028357e-01 -1.2466054222e+00 1.2800000000e+04 5.3023627832e-03 9.9992187500e-01
35 -4.6380318248e-01 9.4150482415e-01 -1.2845719670e+00 8.2076878447e-01 -1.2845719670e+00 1.2800000000e+04 5.3001732178e-03 1.0000000000e+00
36 -4.4943752687e-01 5.0373638463e-01 -1.2118336977e+00 7.6239617084e-01 -1.2118336977e+00 1.2800000000e+04 5.3005683350e-03 1.0000000000e+00
37 -4.4670666902e-01 7.7777853574e-01 -1.2785064016e+00 8.3179973256e-01 -1.2785064016e+00 1.2800000000e+04 5.3016232617e-03 9.9968750000e-01
38 -4.5066027652e-01 1.8888795074e+00 -1.2528841812e+00 8.0222390469e-01 -1.2528841812e+00 1.2800000000e+04 5.3091734912e-03 9.9992187500e-01
39 -4.1691803034e-01 6.2122963477e-01 -1.2587692461e+00 8.4185121581e-01 -1.2587692461e+00 1.2800000000e+04 5.3088537256e-03 1.0000000000e+00
40 -4.5279621255e-01 6.9470147477e-01 -1.2566180355e+00 8.0382182297e-01 -1.2566180355e+00 1.2800000000e+04 5.3007257520e-03 1.0000000000e+00
41 -4.2074854115e-01 5.9591680469e-01 -1.1941501903e+00 7.7340164918e-01 -1.1941501903e+00 1.2800000000e+04 5.3059096387e-03 1.0000000000e+00
42 -4.8816705197e-01 7.1659432168e-01 -1.2046388628e+00 7.1647181085e-01 -1.2046388628e+00 1.2800000000e+04 5.3076256982e-03 1.0000000000e+00
43 -4.4382832581e-01 4.4602344861e-01 -1.1870423455e+00 7.4321401970e-01 -1.1870423455e+00 1.2800000000e+04 5.3020743457e-03 9.9992187500e-01
44 -5.0718107799e-01 7.9699850872e-01 -1.2071407396e+00 6.9995966162e-01 -1.2071407396e+00 1.2800000000e+04 5.3003266943e-03 9.9992187500e-01
45 -4.6277903674e-01 5.0949485106e-01 -1.1385083822e+00 6.7572934550e-01 -1.1385083822e+00 1.2800000000e+04 5.3021870703e-03 1.0000000000e+00
46 -4.4668074216e-01 5.8011876950e-01 -1.1295386632e+00 6.8285792104e-01 -1.1295386632e+00 1.2800000000e+04 5.3005053418e-03 9.9992187500e-01
47 -4.7670833205e-01 5.8864491332e-01 -1.1651459642e+00 6.8843763214e-01 -1.1651459642e+00 1.2800000000e+04 5.3037765088e-03 9.9992187500e-01
48 -4.9191398636e-01 7.2177672596e-01 -1.2113023171e+00 7.1938833074e-01 -1.2113023171e+00 1.2800000000e+04 5.3045483643e-03 1.0000000000e+00
49 -5.0457659208e-01 1.9079485373e+00 -1.1755393791e+00 6.7096278701e-01 -1.1755393791e+00 1.2800000000e+04 5.3028535156e-03 1.0000000000e+00
50 -4.7939298392e-01 5.4776887816e-01 -1.1586840676e+00 6.7929108370e-01 -1.1586840676e+00 1.2800000000e+04 5.3056221338e-03 9.9992187500e-01
51 -4.4718056200e-01 4.1650504163e-01 -1.1212834386e+00 6.7410287656e-01 -1.1212834386e+00 1.2800000000e+04 5.3014752930e-03 9.9992187500e-01
52 -4.4739848411e-01 4.0807801182e-01 -1.1146290379e+00 6.6723055381e-01 -1.1146290379e+00 1.2800000000e+04 5.3036994775e-03 1.0000000000e+00
53 -4.1758988953e-01 3.5818282167e-01 -1.0852602231e+00 6.6767033361e-01 -1.0852602231e+00 1.2800000000e+04 5.3020690723e-03 9.9992187500e-01
54 -4.3725275335e-01 4.3948839745e-01 -1.1228468613e+00 6.8559410800e-01 -1.1228468613e+00 1.2800000000e+04 5.3031089795e-03 9.9992187500e-01
55 -4.6534615177e-01 5.8020916928e-01 -1.1528173324e+00 6.8747118062e-01 -1.1528173324e+00 1.2800000000e+04 5.2997621436e-03 1.0000000000e+00
56 -4.6266922265e-01 5.0902370933e-01 -1.1555439687e+00 6.9287474609e-01 -1.1555439687e+00 1.2800000000e+04 5.3042785303e-03 9.9992187500e-01
57 -4.7013497134e-01 5.2650525908e-01 -1.1219412376e+00 6.5180626623e-01 -1.1219412376e+00 1.2800000000e+04 5.3027230127e-03 9.9984375000e-01
58 -4.6553574818e-01 6.9725756573e-01 -1.1063831814e+00 6.4084743325e-01 -1.1063831814e+00 1.2800000000e+04 5.3046776318e-03 9.9992187500e-01
59 -4.2049648261e-01 3.7840770132e-01 -1.0488498589e+00 6.2835337632e-01 -1.0488498589e+00 1.2800000000e+04 5.3033336816e-03 1.0000000000e+00
60 -4.9041972708e-01 1.7728121494e+00 -1.1587318939e+00 6.6831216681e-01 -1.1587318939e+00 1.2800000000e+04 5.3045429492e-03 9.9992187500e-01
61 -4.1349712201e-01 4.3400547576e-01 -1.0728121668e+00 6.5931504482e-01 -1.0728121668e+00 1.2800000000e+04 5.3042561182e-03 1.0000000000e+00
62 -4.9724489280e-01 7.5825495967e-01 -1.1539516505e+00 6.5670675767e-01 -1.1539516505e+00 1.2800000000e+04 5.3022050977e-03 9.9984375000e-01
63 -4.7440126367e-01 1.3028802852e+00 -1.1553659449e+00 6.8096468127e-01 -1.1553659449e+00 1.2800000000e+04 5.3024939648e-03 9.9992187500e-01
64 -5.0105955389e-01 1.5221315464e+00 -1.2377616198e+00 7.3670206594e-01 -1.2377616198e+00 1.2800000000e+04 5.3017886963e-03 1.0000000000e+00
65 -4.6913426523e-01 5.7908695625e-01 -1.1948693964e+00 7.2573513119e-01 -1.1948693964e+00 1.2800000000e+04 5.4036214014e-03 9.9992187500e-01
66 -5.1901060609e-01 1.4366149565e+00 -1.2536473026e+00 7.3463669653e-01 -1.2536473026e+00 1.2800000000e+04 5.3059787207e-03 1.0000000000e+00
67 -4.7052059058e-01 5.3006900615e-01 -1.1986665545e+00 7.2814596391e-01 -1.1986665545e+00 1.2800000000e+04 5.3009936084e-03 1.0000000000e+00
68 -5.3851365206e-01 1.3278020108e+00 -1.2675303439e+00 7.2901669181e-01 -1.2675303439e+00 1.2800000000e+04 5.3013372949e-03 1.0000000000e+00
69 -4.9420164148e-01 9.7953614369e-01 -1.2043220748e+00 7.1012043335e-01 -1.2043220748e+00 1.2800000000e+04 5.3016172363e-03 1.0000000000e+00
70 -4.5158214009e-01 4.6571675811e-01 -1.0472637371e+00 5.9568159704e-01 -1.0472637371e+00 1.2800000000e+04 5.3014289502e-03 1.0000000000e+00
71 -4.7175160514e-01 5.2106665159e-01 -1.0728120335e+00 6.0106042836e-01 -1.0728120335e+00 1.2800000000e+04 5.3022904053e-03 1.0000000000e+00
72 -4.8032396303e-01 4.4870666994e-01 -1.0092504618e+00 5.2892649878e-01 -1.0092504618e+00 1.2800000000e+04 5.3053676416e-03 9.9984375000e-01
73 -4.7640695635e-01 4.4872871978e-01 -1.0711620506e+00 5.9475509430e-01 -1.0711620506e+00 1.2800000000e+04 5.3045022461e-03 9.9992187500e-01
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492 -4.3481683787e-01 4.6424418326e-01 -1.1949928503e+00 7.6017601244e-01 -1.1949928503e+00 1.2800000000e+04 5.3023804248e-03 1.0000000000e+00
493 -4.6194686812e-01 4.1987246177e-01 -1.1764079030e+00 7.1446103491e-01 -1.1764079030e+00 1.2800000000e+04 5.3074257812e-03 9.9992187500e-01
494 -4.6620397488e-01 5.1516198126e-01 -1.0924018163e+00 6.2619784145e-01 -1.0924018163e+00 1.2800000000e+04 5.3085439648e-03 1.0000000000e+00
495 -4.3949500209e-01 3.6443928078e-01 -1.0530701276e+00 6.1357512551e-01 -1.0530701276e+00 1.2800000000e+04 5.3068674951e-03 1.0000000000e+00
496 -4.0300829967e-01 3.3596203127e-01 -1.1134702594e+00 7.1046195971e-01 -1.1134702594e+00 1.2800000000e+04 5.3050255078e-03 9.9992187500e-01
497 -4.6410387005e-01 7.7172415665e-01 -1.1855972669e+00 7.2149339689e-01 -1.1855972669e+00 1.2800000000e+04 5.3017256348e-03 9.9992187500e-01
498 -4.5052170848e-01 4.5499018937e-01 -1.1759009481e+00 7.2537923964e-01 -1.1759009481e+00 1.2800000000e+04 5.3047033496e-03 9.9992187500e-01
499 -4.1936870313e-01 4.4322245399e-01 -1.1504652679e+00 7.3109656479e-01 -1.1504652679e+00 1.2800000000e+04 5.3030571729e-03 9.9992187500e-01

501
labs/lab1_qmc_statistics/autocorrelation/H.s013.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5704139717e-01 4.8752834937e-01 -1.1759472629e+00 7.1890586572e-01 -1.1759472629e+00 1.2800000000e+04 5.3063590039e-03 1.0000000000e+00
1 -4.3747684860e-01 5.3619016773e-01 -1.1435558795e+00 7.0607903087e-01 -1.1435558795e+00 1.2800000000e+04 5.3025052930e-03 1.0000000000e+00
2 -4.3278682403e-01 5.4145323213e-01 -1.1099181540e+00 6.7713132997e-01 -1.1099181540e+00 1.2800000000e+04 5.3040559424e-03 1.0000000000e+00
3 -4.6610871490e-01 6.1506684702e-01 -1.0890954330e+00 6.2298671807e-01 -1.0890954330e+00 1.2800000000e+04 5.3030904688e-03 9.9992187500e-01
4 -5.3015204234e-01 1.2070194404e+00 -1.0781997949e+00 5.4804775259e-01 -1.0781997949e+00 1.2800000000e+04 5.3006376514e-03 9.9992187500e-01
5 -4.6553182511e-01 5.3090324872e-01 -1.0061446702e+00 5.4061284504e-01 -1.0061446702e+00 1.2800000000e+04 5.3006725830e-03 1.0000000000e+00
6 -4.4055322519e-01 3.5836621384e-01 -9.9670682360e-01 5.5615359842e-01 -9.9670682360e-01 1.2800000000e+04 5.3017448975e-03 1.0000000000e+00
7 -4.3105554643e-01 4.6242260378e-01 -1.0078938254e+00 5.7683827895e-01 -1.0078938254e+00 1.2800000000e+04 5.3036321094e-03 9.9992187500e-01
8 -4.4913341563e-01 4.0525318264e-01 -1.0579182683e+00 6.0878485265e-01 -1.0579182683e+00 1.2800000000e+04 5.3024717773e-03 1.0000000000e+00
9 -4.4234727192e-01 3.7986203152e-01 -1.0415262426e+00 5.9917897067e-01 -1.0415262426e+00 1.2800000000e+04 5.2974329297e-03 1.0000000000e+00
10 -4.2102719424e-01 3.3824304948e-01 -1.0277987271e+00 6.0677153291e-01 -1.0277987271e+00 1.2800000000e+04 5.3008135059e-03 1.0000000000e+00
11 -4.4818612440e-01 3.9974214809e-01 -1.0656085747e+00 6.1742245030e-01 -1.0656085747e+00 1.2800000000e+04 5.3019187207e-03 1.0000000000e+00
12 -3.9432577282e-01 3.1739012675e-01 -1.0588371473e+00 6.6451137446e-01 -1.0588371473e+00 1.2800000000e+04 5.3047995215e-03 1.0000000000e+00
13 -3.9849271873e-01 3.2178107270e-01 -1.1349575754e+00 7.3646485667e-01 -1.1349575754e+00 1.2800000000e+04 5.3041539062e-03 1.0000000000e+00
14 -4.2090812571e-01 4.3011688964e-01 -1.1649562075e+00 7.4404808176e-01 -1.1649562075e+00 1.2800000000e+04 5.3005405029e-03 1.0000000000e+00
15 -4.2364364183e-01 4.1772087275e-01 -1.1853686457e+00 7.6172500385e-01 -1.1853686457e+00 1.2800000000e+04 5.3050604297e-03 1.0000000000e+00
16 -4.0558748703e-01 4.6711577206e-01 -1.1899455676e+00 7.8435808054e-01 -1.1899455676e+00 1.2800000000e+04 5.2996240430e-03 1.0000000000e+00
17 -4.5112928110e-01 7.6111732918e-01 -1.2188719077e+00 7.6774262661e-01 -1.2188719077e+00 1.2800000000e+04 5.3048513623e-03 1.0000000000e+00
18 -4.5740345143e-01 6.1794238056e-01 -1.2140576679e+00 7.5665421644e-01 -1.2140576679e+00 1.2800000000e+04 5.3026565430e-03 1.0000000000e+00
19 -4.1096065669e-01 3.7212840471e-01 -1.1707157796e+00 7.5975512286e-01 -1.1707157796e+00 1.2800000000e+04 5.3051262500e-03 1.0000000000e+00
20 -4.2935482804e-01 6.4344882815e-01 -1.1588347983e+00 7.2947997027e-01 -1.1588347983e+00 1.2800000000e+04 5.3037728125e-03 1.0000000000e+00
21 -4.0313807416e-01 3.6756055316e-01 -1.1747350181e+00 7.7159694389e-01 -1.1747350181e+00 1.2800000000e+04 5.2985754395e-03 1.0000000000e+00
22 -4.4685611157e-01 6.1621378064e-01 -1.2181294368e+00 7.7127332524e-01 -1.2181294368e+00 1.2800000000e+04 5.3004754541e-03 1.0000000000e+00
23 -4.6809915261e-01 6.0480457509e-01 -1.2414516212e+00 7.7335246855e-01 -1.2414516212e+00 1.2800000000e+04 5.3016135547e-03 9.9992187500e-01
24 -4.4743608468e-01 5.3118181970e-01 -1.1952897603e+00 7.4785367560e-01 -1.1952897603e+00 1.2800000000e+04 5.3003114453e-03 9.9992187500e-01
25 -4.8325532686e-01 6.3094872344e-01 -1.2297658072e+00 7.4651048034e-01 -1.2297658072e+00 1.2800000000e+04 5.2986544043e-03 9.9984375000e-01
26 -4.5703233494e-01 4.7179185740e-01 -1.2332855133e+00 7.7625317839e-01 -1.2332855133e+00 1.2800000000e+04 5.3016799414e-03 1.0000000000e+00
27 -5.0634687997e-01 1.6990118386e+00 -1.2861872785e+00 7.7984039849e-01 -1.2861872785e+00 1.2800000000e+04 5.3034755518e-03 9.9984375000e-01
28 -4.8768479411e-01 8.7182701420e-01 -1.3298346277e+00 8.4214983364e-01 -1.3298346277e+00 1.2800000000e+04 5.3022320117e-03 1.0000000000e+00
29 -3.8370823135e-01 3.2343978472e-01 -1.2120781330e+00 8.2836990168e-01 -1.2120781330e+00 1.2800000000e+04 5.3041231982e-03 1.0000000000e+00
30 -4.4151449510e-01 7.3347312880e-01 -1.2637037763e+00 8.2218928117e-01 -1.2637037763e+00 1.2800000000e+04 5.3045190869e-03 1.0000000000e+00
31 -4.3753542328e-01 6.0638076525e-01 -1.2019441633e+00 7.6440874004e-01 -1.2019441633e+00 1.2800000000e+04 5.3013571387e-03 1.0000000000e+00
32 -4.6000754924e-01 8.4709596941e-01 -1.2203188313e+00 7.6031128202e-01 -1.2203188313e+00 1.2800000000e+04 5.3033638574e-03 1.0000000000e+00
33 -4.2602902650e-01 5.7881167281e-01 -1.1778624811e+00 7.5183345463e-01 -1.1778624811e+00 1.2800000000e+04 5.3011193994e-03 1.0000000000e+00
34 -4.4765904222e-01 5.8959557418e-01 -1.2466527692e+00 7.9899372703e-01 -1.2466527692e+00 1.2800000000e+04 5.3024305713e-03 1.0000000000e+00
35 -4.1922462246e-01 5.2872690260e-01 -1.1987821808e+00 7.7955755834e-01 -1.1987821808e+00 1.2800000000e+04 5.3000794678e-03 1.0000000000e+00
36 -4.3936175112e-01 1.1144617967e+00 -1.2724694001e+00 8.3310764894e-01 -1.2724694001e+00 1.2800000000e+04 5.2995278809e-03 1.0000000000e+00
37 -3.7245193339e-01 3.6496726483e-01 -1.2147366825e+00 8.4228474911e-01 -1.2147366825e+00 1.2800000000e+04 5.3037279541e-03 1.0000000000e+00
38 -4.0163691551e-01 1.0511677250e+00 -1.2349123933e+00 8.3327547776e-01 -1.2349123933e+00 1.2800000000e+04 5.3027753467e-03 1.0000000000e+00
39 -3.7434930096e-01 4.7114674656e-01 -1.2514027782e+00 8.7705347726e-01 -1.2514027782e+00 1.2800000000e+04 5.2998460645e-03 1.0000000000e+00
40 -3.6711059806e-01 5.2704455170e-01 -1.2804409127e+00 9.1333031462e-01 -1.2804409127e+00 1.2800000000e+04 5.3026205029e-03 1.0000000000e+00
41 -3.7865667398e-01 3.8452992988e-01 -1.3141346675e+00 9.3547799351e-01 -1.3141346675e+00 1.2800000000e+04 5.3005134424e-03 1.0000000000e+00
42 -3.8533198627e-01 4.3766037764e-01 -1.3067359239e+00 9.2140393766e-01 -1.3067359239e+00 1.2800000000e+04 5.3035825537e-03 1.0000000000e+00
43 -3.9552519480e-01 5.5493220649e-01 -1.3078433912e+00 9.1231819645e-01 -1.3078433912e+00 1.2800000000e+04 5.3001651660e-03 1.0000000000e+00
44 -3.6757342013e-01 4.7793923066e-01 -1.2618615701e+00 8.9428814998e-01 -1.2618615701e+00 1.2800000000e+04 5.2996467627e-03 1.0000000000e+00
45 -4.1116804731e-01 5.7427435259e-01 -1.2696770853e+00 8.5850903799e-01 -1.2696770853e+00 1.2800000000e+04 5.3046270898e-03 9.9992187500e-01
46 -3.9971990670e-01 6.3451481712e-01 -1.2878518273e+00 8.8813192057e-01 -1.2878518273e+00 1.2800000000e+04 5.3044952783e-03 1.0000000000e+00
47 -3.7846410458e-01 4.6540608548e-01 -1.2779845750e+00 8.9952047040e-01 -1.2779845750e+00 1.2800000000e+04 5.2999522607e-03 1.0000000000e+00
48 -4.0844495331e-01 4.8215443481e-01 -1.3266608635e+00 9.1821591017e-01 -1.3266608635e+00 1.2800000000e+04 5.3005484619e-03 1.0000000000e+00
49 -4.0499976905e-01 7.0452355870e-01 -1.2890934527e+00 8.8409368363e-01 -1.2890934527e+00 1.2800000000e+04 5.3034048047e-03 1.0000000000e+00
50 -4.6302185822e-01 1.2860090423e+00 -1.3680064704e+00 9.0498461217e-01 -1.3680064704e+00 1.2800000000e+04 5.3022288623e-03 1.0000000000e+00
51 -4.4796406764e-01 6.7756434741e-01 -1.3795183117e+00 9.3155424406e-01 -1.3795183117e+00 1.2800000000e+04 5.3003119922e-03 1.0000000000e+00
52 -3.8663774455e-01 4.3313018855e-01 -1.2964708367e+00 9.0983309218e-01 -1.2964708367e+00 1.2800000000e+04 5.3018477393e-03 1.0000000000e+00
53 -4.1615706940e-01 5.2696721572e-01 -1.3335833048e+00 9.1742623542e-01 -1.3335833048e+00 1.2800000000e+04 5.3029308252e-03 1.0000000000e+00
54 -4.3902779724e-01 6.4657638812e-01 -1.3420650576e+00 9.0303726036e-01 -1.3420650576e+00 1.2800000000e+04 5.3019565869e-03 1.0000000000e+00
55 -4.3031961293e-01 4.6247282422e+00 -1.3096330196e+00 8.7931340662e-01 -1.3096330196e+00 1.2800000000e+04 5.3028244678e-03 1.0000000000e+00
56 -4.7087326040e-01 3.4932954648e+00 -1.3366328443e+00 8.6575958386e-01 -1.3366328443e+00 1.2800000000e+04 5.3051151514e-03 1.0000000000e+00
57 -5.1323820616e-01 1.8675809172e+00 -1.3560969527e+00 8.4285874658e-01 -1.3560969527e+00 1.2800000000e+04 5.3054982129e-03 1.0000000000e+00
58 -4.8263809536e-01 8.1515870897e-01 -1.3176050139e+00 8.3496691857e-01 -1.3176050139e+00 1.2800000000e+04 5.3041385986e-03 1.0000000000e+00
59 -4.8939009988e-01 5.8826738259e-01 -1.3020027173e+00 8.1261261747e-01 -1.3020027173e+00 1.2800000000e+04 5.3036314746e-03 1.0000000000e+00
60 -5.0698567763e-01 1.2808176960e+00 -1.3280616254e+00 8.2107594773e-01 -1.3280616254e+00 1.2800000000e+04 5.3018458398e-03 1.0000000000e+00
61 -4.5869709887e-01 6.8624691771e-01 -1.2555788024e+00 7.9688170355e-01 -1.2555788024e+00 1.2800000000e+04 5.3028118457e-03 1.0000000000e+00
62 -4.7631676144e-01 1.9584013312e+00 -1.2544897688e+00 7.7817300736e-01 -1.2544897688e+00 1.2800000000e+04 5.3022029590e-03 9.9992187500e-01
63 -4.9078119787e-01 1.2314925883e+00 -1.2794778894e+00 7.8869669154e-01 -1.2794778894e+00 1.2800000000e+04 5.3015675342e-03 1.0000000000e+00
64 -5.1821112242e-01 1.2804816466e+00 -1.3220469058e+00 8.0383578342e-01 -1.3220469058e+00 1.2800000000e+04 5.2997728320e-03 9.9992187500e-01
65 -4.9118837561e-01 1.1234488437e+00 -1.2646309040e+00 7.7344252842e-01 -1.2646309040e+00 1.2800000000e+04 5.3033142676e-03 1.0000000000e+00
66 -3.8183514253e-01 3.5180837908e-01 -1.1558706814e+00 7.7403553886e-01 -1.1558706814e+00 1.2800000000e+04 5.3008729590e-03 1.0000000000e+00
67 -3.7863702674e-01 3.5498056448e-01 -1.1999761229e+00 8.2133909614e-01 -1.1999761229e+00 1.2800000000e+04 5.3076541748e-03 1.0000000000e+00
68 -3.9753842170e-01 3.9744889540e-01 -1.1937334378e+00 7.9619501610e-01 -1.1937334378e+00 1.2800000000e+04 5.3028109375e-03 1.0000000000e+00
69 -4.2980082437e-01 5.5993768923e-01 -1.2145869664e+00 7.8478614206e-01 -1.2145869664e+00 1.2800000000e+04 5.2997251660e-03 1.0000000000e+00
70 -4.2817397850e-01 8.1264680630e-01 -1.2036244714e+00 7.7545049290e-01 -1.2036244714e+00 1.2800000000e+04 5.3020113525e-03 1.0000000000e+00
71 -3.8043850972e-01 3.5253147909e-01 -1.1818338019e+00 8.0139529222e-01 -1.1818338019e+00 1.2800000000e+04 5.2991258301e-03 1.0000000000e+00
72 -4.2496434730e-01 4.5830528309e-01 -1.1968519257e+00 7.7188757840e-01 -1.1968519257e+00 1.2800000000e+04 5.3047200586e-03 1.0000000000e+00
73 -4.1569630269e-01 3.9838799175e-01 -1.2160594954e+00 8.0036319267e-01 -1.2160594954e+00 1.2800000000e+04 5.3012109277e-03 1.0000000000e+00
74 -3.8367867951e-01 4.6119754498e-01 -1.2052164009e+00 8.2153772139e-01 -1.2052164009e+00 1.2800000000e+04 5.3012368799e-03 9.9992187500e-01
75 -4.0700870795e-01 4.4577759816e-01 -1.2241247013e+00 8.1711599331e-01 -1.2241247013e+00 1.2800000000e+04 5.3013147656e-03 1.0000000000e+00
76 -4.2770893412e-01 5.1568600207e-01 -1.2464230769e+00 8.1871414279e-01 -1.2464230769e+00 1.2800000000e+04 5.3035957861e-03 1.0000000000e+00
77 -4.5647770848e-01 2.4818842013e+00 -1.2730222394e+00 8.1654453093e-01 -1.2730222394e+00 1.2800000000e+04 5.3032927100e-03 1.0000000000e+00
78 -3.9025703463e-01 5.3358496510e-01 -1.1927043306e+00 8.0244729594e-01 -1.1927043306e+00 1.2800000000e+04 5.3000632861e-03 9.9992187500e-01
79 -4.2522888516e-01 1.0609995040e+00 -1.1615888144e+00 7.3635992922e-01 -1.1615888144e+00 1.2800000000e+04 5.3042132617e-03 1.0000000000e+00
80 -4.1078897861e-01 4.8115359557e-01 -1.1395801121e+00 7.2879113351e-01 -1.1395801121e+00 1.2800000000e+04 5.3057161719e-03 9.9992187500e-01
81 -3.8416385402e-01 3.2666657314e-01 -1.1092336446e+00 7.2506979058e-01 -1.1092336446e+00 1.2800000000e+04 5.3006291406e-03 1.0000000000e+00
82 -4.3477200858e-01 5.8359644989e-01 -1.1684266282e+00 7.3365461966e-01 -1.1684266282e+00 1.2800000000e+04 5.3047838135e-03 1.0000000000e+00
83 -4.2816117499e-01 9.1906710153e-01 -1.2036247898e+00 7.7546361480e-01 -1.2036247898e+00 1.2800000000e+04 5.3019045264e-03 1.0000000000e+00
84 -3.9602510423e-01 3.6792309891e-01 -1.1543626149e+00 7.5833751071e-01 -1.1543626149e+00 1.2800000000e+04 5.3015783936e-03 1.0000000000e+00
85 -4.8615459609e-01 7.4840507658e-01 -1.2200122332e+00 7.3385763714e-01 -1.2200122332e+00 1.2800000000e+04 5.3049553955e-03 1.0000000000e+00
86 -4.5679417210e-01 4.1602536051e-01 -1.1445254964e+00 6.8773132426e-01 -1.1445254964e+00 1.2800000000e+04 5.3023344922e-03 1.0000000000e+00
87 -5.3757605140e-01 1.1647479435e+00 -1.2456303964e+00 7.0805434495e-01 -1.2456303964e+00 1.2800000000e+04 5.3065600537e-03 1.0000000000e+00
88 -4.6235659045e-01 7.8196070355e-01 -1.1554581055e+00 6.9310151507e-01 -1.1554581055e+00 1.2800000000e+04 5.3035211816e-03 1.0000000000e+00
89 -4.7542128957e-01 7.0354505734e-01 -1.1576692744e+00 6.8224798485e-01 -1.1576692744e+00 1.2800000000e+04 5.3015435352e-03 9.9992187500e-01
90 -5.2402696383e-01 9.7287508064e-01 -1.2137333043e+00 6.8970634043e-01 -1.2137333043e+00 1.2800000000e+04 5.3072089502e-03 1.0000000000e+00
91 -5.2127577195e-01 8.1336896275e-01 -1.1541849131e+00 6.3290914115e-01 -1.1541849131e+00 1.2800000000e+04 5.2975558691e-03 1.0000000000e+00
92 -5.3492358649e-01 5.7257575434e-01 -1.1703259926e+00 6.3540240610e-01 -1.1703259926e+00 1.2800000000e+04 5.3010237256e-03 1.0000000000e+00
93 -4.9688741106e-01 6.0892195503e-01 -1.1219653559e+00 6.2507794485e-01 -1.1219653559e+00 1.2800000000e+04 5.3025729443e-03 1.0000000000e+00
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411 -4.9549417037e-01 6.2935162749e-01 -1.2320507813e+00 7.3655661093e-01 -1.2320507813e+00 1.2800000000e+04 5.3023057324e-03 1.0000000000e+00
412 -5.4364019053e-01 1.2232963579e+00 -1.2734075298e+00 7.2976733923e-01 -1.2734075298e+00 1.2800000000e+04 5.3071648291e-03 1.0000000000e+00
413 -4.7698594893e-01 7.9394125273e-01 -1.1958595808e+00 7.1887363192e-01 -1.1958595808e+00 1.2800000000e+04 5.3081112109e-03 1.0000000000e+00
414 -4.4270322627e-01 5.4347953052e-01 -1.1334574192e+00 6.9075419291e-01 -1.1334574192e+00 1.2800000000e+04 5.3050539209e-03 1.0000000000e+00
415 -4.2491214256e-01 3.6775751051e-01 -1.1111926008e+00 6.8628045823e-01 -1.1111926008e+00 1.2800000000e+04 5.3027264893e-03 9.9992187500e-01
416 -4.7610189050e-01 5.4765120469e-01 -1.2140552800e+00 7.3795338952e-01 -1.2140552800e+00 1.2800000000e+04 5.3009862500e-03 1.0000000000e+00
417 -4.6482491703e-01 5.8303332958e-01 -1.1794216051e+00 7.1459668802e-01 -1.1794216051e+00 1.2800000000e+04 5.3066486768e-03 1.0000000000e+00
418 -4.4845585342e-01 5.2750651574e-01 -1.1773289820e+00 7.2887312863e-01 -1.1773289820e+00 1.2800000000e+04 5.3037301563e-03 1.0000000000e+00
419 -4.9399493448e-01 2.0621604387e+00 -1.2330854872e+00 7.3909055274e-01 -1.2330854872e+00 1.2800000000e+04 5.3077267920e-03 1.0000000000e+00
420 -4.3653945283e-01 6.7416311495e-01 -1.1826838845e+00 7.4614443163e-01 -1.1826838845e+00 1.2800000000e+04 5.3028333447e-03 1.0000000000e+00
421 -4.3235729713e-01 5.3064238081e-01 -1.2119814277e+00 7.7962413060e-01 -1.2119814277e+00 1.2800000000e+04 5.3027629443e-03 1.0000000000e+00
422 -5.3725883311e-01 1.3772473383e+00 -1.3297149065e+00 7.9245607338e-01 -1.3297149065e+00 1.2800000000e+04 5.3043146924e-03 1.0000000000e+00
423 -5.1894309786e-01 1.3210770263e+00 -1.2788683742e+00 7.5992527639e-01 -1.2788683742e+00 1.2800000000e+04 5.3138335937e-03 9.9992187500e-01
424 -5.5065145642e-01 1.2806871199e+00 -1.2970000377e+00 7.4634858129e-01 -1.2970000377e+00 1.2800000000e+04 5.3044440283e-03 1.0000000000e+00
425 -5.3677186022e-01 7.3554250528e-01 -1.2336851388e+00 6.9691327854e-01 -1.2336851388e+00 1.2800000000e+04 5.3041104932e-03 1.0000000000e+00
426 -5.1412780828e-01 5.1676146306e-01 -1.1602812914e+00 6.4615348315e-01 -1.1602812914e+00 1.2800000000e+04 5.3044049658e-03 1.0000000000e+00
427 -5.0905209911e-01 7.0908008730e-01 -1.2177985808e+00 7.0874648172e-01 -1.2177985808e+00 1.2800000000e+04 5.3015601514e-03 1.0000000000e+00
428 -4.7464944905e-01 5.8650517469e-01 -1.1956760515e+00 7.2102660247e-01 -1.1956760515e+00 1.2800000000e+04 5.3026773926e-03 9.9992187500e-01
429 -4.9638624605e-01 9.9769396499e-01 -1.1803302831e+00 6.8394403708e-01 -1.1803302831e+00 1.2800000000e+04 5.3021547803e-03 1.0000000000e+00
430 -4.6339461084e-01 7.9293920138e-01 -1.1557074971e+00 6.9231288625e-01 -1.1557074971e+00 1.2800000000e+04 5.3027997461e-03 1.0000000000e+00
431 -5.0155460082e-01 1.1908901356e+00 -1.1830570933e+00 6.8150249250e-01 -1.1830570933e+00 1.2800000000e+04 5.3018365625e-03 1.0000000000e+00
432 -4.4900540075e-01 4.3367645078e-01 -1.1069875936e+00 6.5798219288e-01 -1.1069875936e+00 1.2800000000e+04 5.3028943604e-03 1.0000000000e+00
433 -4.0706849270e-01 3.3470792483e-01 -1.0771920314e+00 6.7012353866e-01 -1.0771920314e+00 1.2800000000e+04 5.3030381934e-03 1.0000000000e+00
434 -4.2078640851e-01 4.9656698166e-01 -1.1388826022e+00 7.1809619373e-01 -1.1388826022e+00 1.2800000000e+04 5.3072180176e-03 1.0000000000e+00
435 -4.2536203802e-01 5.5364695655e-01 -1.1311622450e+00 7.0580020696e-01 -1.1311622450e+00 1.2800000000e+04 5.3031109229e-03 1.0000000000e+00
436 -4.9666609407e-01 7.8907727016e-01 -1.1795726736e+00 6.8290657954e-01 -1.1795726736e+00 1.2800000000e+04 5.3020140625e-03 1.0000000000e+00
437 -4.1341065932e-01 3.6391791993e-01 -1.1177270722e+00 7.0431641290e-01 -1.1177270722e+00 1.2800000000e+04 5.3033519824e-03 1.0000000000e+00
438 -3.9046558885e-01 4.0226744444e-01 -1.1611277584e+00 7.7066216955e-01 -1.1611277584e+00 1.2800000000e+04 5.3065890332e-03 1.0000000000e+00
439 -3.9776107090e-01 3.8334647357e-01 -1.1790456868e+00 7.8128461588e-01 -1.1790456868e+00 1.2800000000e+04 5.3058190332e-03 1.0000000000e+00
440 -4.3632458913e-01 8.3111523747e-01 -1.2453359939e+00 8.0901140477e-01 -1.2453359939e+00 1.2800000000e+04 5.3064961084e-03 1.0000000000e+00
441 -4.6655016722e-01 7.9407097615e-01 -1.2631803850e+00 7.9663021774e-01 -1.2631803850e+00 1.2800000000e+04 5.3043218457e-03 1.0000000000e+00
442 -4.7872059727e-01 8.2182155728e-01 -1.2305649008e+00 7.5184430354e-01 -1.2305649008e+00 1.2800000000e+04 5.3061844873e-03 1.0000000000e+00
443 -5.3491487632e-01 7.0628896485e-01 -1.2582879816e+00 7.2337310526e-01 -1.2582879816e+00 1.2800000000e+04 5.3068487354e-03 1.0000000000e+00
444 -4.9271850666e-01 7.4754097511e-01 -1.1784177209e+00 6.8569921419e-01 -1.1784177209e+00 1.2800000000e+04 5.3063838184e-03 1.0000000000e+00
445 -4.4335219002e-01 3.7301284113e-01 -1.1152886798e+00 6.7193648982e-01 -1.1152886798e+00 1.2800000000e+04 5.3054211328e-03 1.0000000000e+00
446 -4.6709123154e-01 7.6001505996e-01 -1.1466315859e+00 6.7954035435e-01 -1.1466315859e+00 1.2800000000e+04 5.3068245410e-03 1.0000000000e+00
447 -5.2012488753e-01 1.6115074640e+00 -1.2333802635e+00 7.1325537598e-01 -1.2333802635e+00 1.2800000000e+04 5.3049711768e-03 1.0000000000e+00
448 -4.4882065254e-01 4.8526625528e-01 -1.1580429125e+00 7.0922226001e-01 -1.1580429125e+00 1.2800000000e+04 5.3009044580e-03 1.0000000000e+00
449 -5.0751395961e-01 1.7423241838e+00 -1.1908692282e+00 6.8335526862e-01 -1.1908692282e+00 1.2800000000e+04 5.3056711670e-03 9.9992187500e-01
450 -4.7123479538e-01 7.1288409426e-01 -1.1310764221e+00 6.5984162672e-01 -1.1310764221e+00 1.2800000000e+04 5.3051384961e-03 1.0000000000e+00
451 -4.1278174525e-01 3.9143793837e-01 -1.1286603369e+00 7.1587859165e-01 -1.1286603369e+00 1.2800000000e+04 5.3057433057e-03 1.0000000000e+00
452 -4.3071227515e-01 4.1377195676e-01 -1.1425067904e+00 7.1179451523e-01 -1.1425067904e+00 1.2800000000e+04 5.3049529053e-03 1.0000000000e+00
453 -4.5424863064e-01 5.0227217469e-01 -1.2054844978e+00 7.5123586713e-01 -1.2054844978e+00 1.2800000000e+04 5.3015607178e-03 1.0000000000e+00
454 -4.4049702851e-01 7.5984277986e-01 -1.2097914162e+00 7.6929438772e-01 -1.2097914162e+00 1.2800000000e+04 5.2997518359e-03 9.9992187500e-01
455 -4.1249467535e-01 3.7919724149e-01 -1.1429440052e+00 7.3044932988e-01 -1.1429440052e+00 1.2800000000e+04 5.3017712061e-03 1.0000000000e+00
456 -4.4222706923e-01 6.4912386623e-01 -1.1853852142e+00 7.4315814501e-01 -1.1853852142e+00 1.2800000000e+04 5.3032995557e-03 1.0000000000e+00
457 -4.3284259092e-01 5.7763053458e-01 -1.1967983070e+00 7.6395571606e-01 -1.1967983070e+00 1.2800000000e+04 5.3047616260e-03 1.0000000000e+00
458 -3.7076493313e-01 3.3325966000e-01 -1.1505610400e+00 7.7979610685e-01 -1.1505610400e+00 1.2800000000e+04 5.3039578271e-03 1.0000000000e+00
459 -3.9932632681e-01 3.7158515102e-01 -1.1867472841e+00 7.8742095733e-01 -1.1867472841e+00 1.2800000000e+04 5.3028016650e-03 1.0000000000e+00
460 -4.2523726760e-01 1.1986937961e+00 -1.2358397973e+00 8.1060252967e-01 -1.2358397973e+00 1.2800000000e+04 5.3025209961e-03 1.0000000000e+00
461 -4.0744289406e-01 4.6228112758e-01 -1.2596253711e+00 8.5218247702e-01 -1.2596253711e+00 1.2800000000e+04 5.3066647510e-03 1.0000000000e+00
462 -4.3447737612e-01 1.3284690997e+00 -1.3224283288e+00 8.8795095268e-01 -1.3224283288e+00 1.2800000000e+04 5.3029169482e-03 1.0000000000e+00
463 -3.4365220272e-01 3.4937313420e-01 -1.2413726586e+00 8.9772045585e-01 -1.2413726586e+00 1.2800000000e+04 5.3018193359e-03 1.0000000000e+00
464 -4.6500321529e-01 1.3252574644e+00 -1.3666553564e+00 9.0165214110e-01 -1.3666553564e+00 1.2800000000e+04 5.3021788379e-03 9.9976562500e-01
465 -4.5961848341e-01 5.3397948444e-01 -1.3084429481e+00 8.4882446471e-01 -1.3084429481e+00 1.2800000000e+04 5.3009965234e-03 9.9992187500e-01
466 -5.3415635093e-01 7.9218855219e-01 -1.3735853439e+00 8.3942899295e-01 -1.3735853439e+00 1.2800000000e+04 5.3035959668e-03 9.9992187500e-01
467 -4.7581342490e-01 6.4220026105e-01 -1.3106524572e+00 8.3483903226e-01 -1.3106524572e+00 1.2800000000e+04 5.3080318701e-03 1.0000000000e+00
468 -4.9887902139e-01 1.0354729239e+00 -1.3222566872e+00 8.2337766581e-01 -1.3222566872e+00 1.2800000000e+04 5.3066150146e-03 1.0000000000e+00
469 -4.4760830268e-01 4.6454528335e-01 -1.2250540658e+00 7.7744576310e-01 -1.2250540658e+00 1.2800000000e+04 5.3031767139e-03 1.0000000000e+00
470 -4.1678156201e-01 3.9994990111e-01 -1.2320383126e+00 8.1525675056e-01 -1.2320383126e+00 1.2800000000e+04 5.3018510938e-03 1.0000000000e+00
471 -5.3771159859e-01 1.8202019864e+00 -1.3499938527e+00 8.1228225415e-01 -1.3499938527e+00 1.2800000000e+04 5.3062843262e-03 1.0000000000e+00
472 -5.1643241962e-01 9.4760786434e-01 -1.3041371440e+00 7.8770472433e-01 -1.3041371440e+00 1.2800000000e+04 5.3033855176e-03 1.0000000000e+00
473 -4.8883303769e-01 9.2394937887e-01 -1.2870426944e+00 7.9820965674e-01 -1.2870426944e+00 1.2800000000e+04 5.3043764258e-03 1.0000000000e+00
474 -4.1996289293e-01 4.2991658877e-01 -1.1881429924e+00 7.6818009950e-01 -1.1881429924e+00 1.2800000000e+04 5.3054051123e-03 1.0000000000e+00
475 -3.7355238590e-01 3.5716184070e-01 -1.1611345213e+00 7.8758213541e-01 -1.1611345213e+00 1.2800000000e+04 5.3035044629e-03 9.9992187500e-01
476 -4.1516170917e-01 5.0699790899e-01 -1.2188297430e+00 8.0366803380e-01 -1.2188297430e+00 1.2800000000e+04 5.3105270264e-03 1.0000000000e+00
477 -3.8951915023e-01 3.8194645978e-01 -1.2098986671e+00 8.2037951684e-01 -1.2098986671e+00 1.2800000000e+04 5.3056693408e-03 1.0000000000e+00
478 -3.8626386912e-01 4.0557100959e-01 -1.1838388359e+00 7.9757496677e-01 -1.1838388359e+00 1.2800000000e+04 5.3032553369e-03 1.0000000000e+00
479 -4.7160896304e-01 7.9300172937e-01 -1.1930111351e+00 7.2140217201e-01 -1.1930111351e+00 1.2800000000e+04 5.3055510449e-03 1.0000000000e+00
480 -4.2548338142e-01 3.9018410937e-01 -1.1601229628e+00 7.3463958142e-01 -1.1601229628e+00 1.2800000000e+04 5.3066367432e-03 1.0000000000e+00
481 -5.8652545031e-01 8.6300807067e+00 -1.3917572681e+00 8.0523181777e-01 -1.3917572681e+00 1.2800000000e+04 5.3046456934e-03 1.0000000000e+00
482 -4.8373904910e-01 7.6971871720e-01 -1.2907127438e+00 8.0697369466e-01 -1.2907127438e+00 1.2800000000e+04 5.3068450488e-03 1.0000000000e+00
483 -4.3792954301e-01 4.4671281568e-01 -1.1460342504e+00 7.0810470742e-01 -1.1460342504e+00 1.2800000000e+04 5.3047598633e-03 1.0000000000e+00
484 -4.3613298015e-01 3.7528594212e-01 -1.1187701335e+00 6.8263715331e-01 -1.1187701335e+00 1.2800000000e+04 5.3030584668e-03 1.0000000000e+00
485 -4.4673509186e-01 4.8202053015e-01 -1.1848360518e+00 7.3810095990e-01 -1.1848360518e+00 1.2800000000e+04 5.3083421143e-03 1.0000000000e+00
486 -4.2571044889e-01 3.9192638956e-01 -1.1145656646e+00 6.8885521573e-01 -1.1145656646e+00 1.2800000000e+04 5.3041283984e-03 9.9992187500e-01
487 -4.2614065788e-01 3.8159937173e-01 -1.1144269873e+00 6.8828632941e-01 -1.1144269873e+00 1.2800000000e+04 5.3050968994e-03 1.0000000000e+00
488 -4.4561056901e-01 6.2211170569e-01 -1.2221285622e+00 7.7651799320e-01 -1.2221285622e+00 1.2800000000e+04 5.3037426807e-03 1.0000000000e+00
489 -3.8791937348e-01 5.6579692157e-01 -1.2225945127e+00 8.3467513920e-01 -1.2225945127e+00 1.2800000000e+04 5.3051233105e-03 1.0000000000e+00
490 -3.5314607331e-01 3.0059791913e-01 -1.1720749524e+00 8.1892887913e-01 -1.1720749524e+00 1.2800000000e+04 5.3048685156e-03 9.9992187500e-01
491 -3.4153178745e-01 2.9893316739e-01 -1.1770130147e+00 8.3548122721e-01 -1.1770130147e+00 1.2800000000e+04 5.3035882861e-03 9.9992187500e-01
492 -3.9791329609e-01 4.7684007542e-01 -1.2396466874e+00 8.4173339128e-01 -1.2396466874e+00 1.2800000000e+04 5.3033582178e-03 1.0000000000e+00
493 -4.4836660985e-01 8.9339531089e-01 -1.2573771467e+00 8.0901053685e-01 -1.2573771467e+00 1.2800000000e+04 5.3059886816e-03 1.0000000000e+00
494 -4.7962792344e-01 4.4611188406e-01 -1.1651405200e+00 6.8551259655e-01 -1.1651405200e+00 1.2800000000e+04 5.3058162256e-03 1.0000000000e+00
495 -4.9314329756e-01 5.2153121843e-01 -1.1268885984e+00 6.3374530089e-01 -1.1268885984e+00 1.2800000000e+04 5.3016164990e-03 1.0000000000e+00
496 -4.9234665052e-01 6.7229312634e-01 -1.1275528661e+00 6.3520621554e-01 -1.1275528661e+00 1.2800000000e+04 5.3031140088e-03 1.0000000000e+00
497 -4.6610150250e-01 5.4808951512e-01 -1.1274125237e+00 6.6131102118e-01 -1.1274125237e+00 1.2800000000e+04 5.3052255566e-03 1.0000000000e+00
498 -4.8751009319e-01 4.5750538930e-01 -1.1464164164e+00 6.5890632324e-01 -1.1464164164e+00 1.2800000000e+04 5.3030114160e-03 1.0000000000e+00
499 -4.7487057713e-01 5.2688523330e-01 -1.2053592482e+00 7.3048867112e-01 -1.2053592482e+00 1.2800000000e+04 5.3103162939e-03 1.0000000000e+00

501
labs/lab1_qmc_statistics/autocorrelation/H.s014.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.3071016545e-01 4.5216381264e-01 -1.1638260321e+00 7.3311586662e-01 -1.1638260321e+00 1.2800000000e+04 5.3121034131e-03 1.0000000000e+00
1 -4.3187674058e-01 3.9123047939e-01 -1.1503570172e+00 7.1848027657e-01 -1.1503570172e+00 1.2800000000e+04 5.3090905420e-03 1.0000000000e+00
2 -4.6627167483e-01 4.7808118185e-01 -1.1469654322e+00 6.8069375740e-01 -1.1469654322e+00 1.2800000000e+04 5.3015245654e-03 1.0000000000e+00
3 -4.7533420436e-01 4.9010526113e-01 -1.1320135329e+00 6.5667932850e-01 -1.1320135329e+00 1.2800000000e+04 5.3060833545e-03 1.0000000000e+00
4 -4.8886063855e-01 8.2904703061e-01 -1.1478752973e+00 6.5901465873e-01 -1.1478752973e+00 1.2800000000e+04 5.3074963281e-03 1.0000000000e+00
5 -4.8211974549e-01 7.2423766199e-01 -1.1243584143e+00 6.4223866877e-01 -1.1243584143e+00 1.2800000000e+04 5.3047590967e-03 1.0000000000e+00
6 -4.9078099506e-01 6.0157451343e-01 -1.1371583919e+00 6.4637739685e-01 -1.1371583919e+00 1.2800000000e+04 5.3015485547e-03 1.0000000000e+00
7 -4.6173744000e-01 4.2941650715e-01 -1.1290480200e+00 6.6731058004e-01 -1.1290480200e+00 1.2800000000e+04 5.3033737891e-03 1.0000000000e+00
8 -4.6737797287e-01 5.0377412997e-01 -1.1541116283e+00 6.8673365543e-01 -1.1541116283e+00 1.2800000000e+04 5.2980420459e-03 1.0000000000e+00
9 -4.0761219267e-01 3.4000303693e-01 -1.1403317142e+00 7.3271952151e-01 -1.1403317142e+00 1.2800000000e+04 5.3010050195e-03 1.0000000000e+00
10 -4.0504075365e-01 3.5398559228e-01 -1.1391909785e+00 7.3415022484e-01 -1.1391909785e+00 1.2800000000e+04 5.3019216309e-03 1.0000000000e+00
11 -4.3897907373e-01 4.3517067656e-01 -1.1543063606e+00 7.1532728687e-01 -1.1543063606e+00 1.2800000000e+04 5.3081819629e-03 1.0000000000e+00
12 -4.5805383190e-01 6.6599793665e-01 -1.1937015237e+00 7.3564769185e-01 -1.1937015237e+00 1.2800000000e+04 5.3032983447e-03 1.0000000000e+00
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437 -4.5143001262e-01 3.9056757727e-01 -1.0936842735e+00 6.4225426088e-01 -1.0936842735e+00 1.2800000000e+04 5.3047341650e-03 1.0000000000e+00
438 -5.0729922994e-01 6.3609191420e-01 -1.0965010331e+00 5.8920180315e-01 -1.0965010331e+00 1.2800000000e+04 5.3072771582e-03 1.0000000000e+00
439 -6.3097616256e-01 3.0491753856e+00 -1.2273594371e+00 5.9638327450e-01 -1.2273594371e+00 1.2800000000e+04 5.3038405859e-03 1.0000000000e+00
440 -5.7725872686e-01 2.3304324760e+00 -1.1951727342e+00 6.1791400734e-01 -1.1951727342e+00 1.2800000000e+04 5.3055547168e-03 1.0000000000e+00
441 -6.9044022569e-01 5.2217882915e+00 -1.3265440574e+00 6.3610383172e-01 -1.3265440574e+00 1.2800000000e+04 5.3045875781e-03 1.0000000000e+00
442 -6.0089163596e-01 1.4599162229e+00 -1.2435841567e+00 6.4269252070e-01 -1.2435841567e+00 1.2800000000e+04 5.3046032617e-03 1.0000000000e+00
443 -4.9434180517e-01 7.5315634792e-01 -1.1858330404e+00 6.9149123526e-01 -1.1858330404e+00 1.2800000000e+04 5.3068809375e-03 1.0000000000e+00
444 -4.4318006477e-01 4.3997761563e-01 -1.1396380663e+00 6.9645800151e-01 -1.1396380663e+00 1.2800000000e+04 5.3004621484e-03 1.0000000000e+00
445 -4.6844242746e-01 6.2506404632e-01 -1.1638426859e+00 6.9540025848e-01 -1.1638426859e+00 1.2800000000e+04 5.3050809229e-03 1.0000000000e+00
446 -4.5385398138e-01 5.3141652490e-01 -1.1386689831e+00 6.8481500168e-01 -1.1386689831e+00 1.2800000000e+04 5.3036984228e-03 1.0000000000e+00
447 -4.6612843949e-01 4.7612928006e-01 -1.1802873568e+00 7.1415891733e-01 -1.1802873568e+00 1.2800000000e+04 5.3012336426e-03 1.0000000000e+00
448 -5.1407086762e-01 6.9166380704e-01 -1.2043180215e+00 6.9024715391e-01 -1.2043180215e+00 1.2800000000e+04 5.3052844531e-03 1.0000000000e+00
449 -5.1853186877e-01 9.5666803332e-01 -1.2090169280e+00 6.9048505919e-01 -1.2090169280e+00 1.2800000000e+04 5.3028583252e-03 9.9992187500e-01
450 -4.9714523246e-01 6.0252841554e-01 -1.1748185059e+00 6.7767327345e-01 -1.1748185059e+00 1.2800000000e+04 5.3045299268e-03 1.0000000000e+00
451 -4.8378723299e-01 4.7119492362e-01 -1.1407478708e+00 6.5696063778e-01 -1.1407478708e+00 1.2800000000e+04 5.3011432324e-03 1.0000000000e+00
452 -5.3142208479e-01 6.4728216813e-01 -1.1777274935e+00 6.4630540874e-01 -1.1777274935e+00 1.2800000000e+04 5.3027585400e-03 1.0000000000e+00
453 -5.6801936845e-01 1.4265221395e+00 -1.2284943564e+00 6.6047498795e-01 -1.2284943564e+00 1.2800000000e+04 5.3036471289e-03 1.0000000000e+00
454 -5.4549769144e-01 4.6656265444e+00 -1.2240902934e+00 6.7859260196e-01 -1.2240902934e+00 1.2800000000e+04 5.3065699951e-03 1.0000000000e+00
455 -6.2978987539e-01 1.6443948241e+00 -1.3067237197e+00 6.7693384427e-01 -1.3067237197e+00 1.2800000000e+04 5.3066013965e-03 1.0000000000e+00
456 -6.2047671532e-01 1.7549538070e+00 -1.2966306275e+00 6.7615391215e-01 -1.2966306275e+00 1.2800000000e+04 5.3026642236e-03 1.0000000000e+00
457 -5.4795291294e-01 9.6353029799e-01 -1.2581216950e+00 7.1016878205e-01 -1.2581216950e+00 1.2800000000e+04 5.3070890039e-03 1.0000000000e+00
458 -5.0010835243e-01 6.8194788044e-01 -1.1761569219e+00 6.7604856944e-01 -1.1761569219e+00 1.2800000000e+04 5.3065263721e-03 1.0000000000e+00
459 -4.3130216755e-01 3.5278158567e-01 -1.0787406374e+00 6.4743846982e-01 -1.0787406374e+00 1.2800000000e+04 5.3040350732e-03 1.0000000000e+00
460 -4.3071327419e-01 3.6974575243e-01 -1.0690658547e+00 6.3835258053e-01 -1.0690658547e+00 1.2800000000e+04 5.3074092529e-03 1.0000000000e+00
461 -4.7038255931e-01 5.2832191682e-01 -1.0860879837e+00 6.1570542440e-01 -1.0860879837e+00 1.2800000000e+04 5.3052866602e-03 1.0000000000e+00
462 -5.1020352200e-01 1.3928773802e+00 -1.1361296689e+00 6.2592614691e-01 -1.1361296689e+00 1.2800000000e+04 5.3050037451e-03 1.0000000000e+00
463 -4.8079102158e-01 4.3481677915e-01 -1.0747696945e+00 5.9397867293e-01 -1.0747696945e+00 1.2800000000e+04 5.3010203271e-03 1.0000000000e+00
464 -4.7558658453e-01 3.9520038548e-01 -1.0784379225e+00 6.0285133796e-01 -1.0784379225e+00 1.2800000000e+04 5.3054184814e-03 1.0000000000e+00
465 -4.7459128094e-01 4.1192409094e-01 -1.0956265486e+00 6.2103526766e-01 -1.0956265486e+00 1.2800000000e+04 5.3049440527e-03 1.0000000000e+00
466 -4.9993374219e-01 4.7963299227e-01 -1.1296840714e+00 6.2975032923e-01 -1.1296840714e+00 1.2800000000e+04 5.3038219141e-03 1.0000000000e+00
467 -5.1425341440e-01 9.5296266377e-01 -1.1302544577e+00 6.1600104335e-01 -1.1302544577e+00 1.2800000000e+04 5.3051883691e-03 1.0000000000e+00
468 -5.1421512752e-01 1.8109898002e+00 -1.0989521285e+00 5.8473700102e-01 -1.0989521285e+00 1.2800000000e+04 5.3051959668e-03 1.0000000000e+00
469 -4.6074130851e-01 3.7883703074e-01 -1.0453188289e+00 5.8457752037e-01 -1.0453188289e+00 1.2800000000e+04 5.3018747900e-03 1.0000000000e+00
470 -4.8651255296e-01 4.5721706261e-01 -1.0721446391e+00 5.8563208617e-01 -1.0721446391e+00 1.2800000000e+04 5.3068303174e-03 1.0000000000e+00
471 -4.5835017162e-01 4.1907491592e-01 -1.0483981428e+00 5.9004797119e-01 -1.0483981428e+00 1.2800000000e+04 5.3036169141e-03 1.0000000000e+00
472 -4.7519505360e-01 4.5146602185e-01 -1.0734842948e+00 5.9828924118e-01 -1.0734842948e+00 1.2800000000e+04 5.3053959228e-03 1.0000000000e+00
473 -5.0632529866e-01 8.1023168766e-01 -1.0973072645e+00 5.9098196584e-01 -1.0973072645e+00 1.2800000000e+04 5.3074402637e-03 1.0000000000e+00
474 -4.8158617754e-01 4.6405034220e-01 -1.0562373254e+00 5.7465114784e-01 -1.0562373254e+00 1.2800000000e+04 5.3047687207e-03 1.0000000000e+00
475 -5.1993854513e-01 4.7612468658e-01 -1.0540967807e+00 5.3415823559e-01 -1.0540967807e+00 1.2800000000e+04 5.3058622949e-03 1.0000000000e+00
476 -5.4454851964e-01 4.7291905207e-01 -1.0727695795e+00 5.2822105986e-01 -1.0727695795e+00 1.2800000000e+04 5.3088183887e-03 1.0000000000e+00
477 -5.0643752766e-01 4.1642644418e-01 -1.0936849056e+00 5.8724737794e-01 -1.0936849056e+00 1.2800000000e+04 5.3042577002e-03 9.9992187500e-01
478 -4.8764162926e-01 4.6696299453e-01 -1.1433178085e+00 6.5567617928e-01 -1.1433178085e+00 1.2800000000e+04 5.3020158252e-03 1.0000000000e+00
479 -5.3239010332e-01 1.9986846808e+00 -1.2090308362e+00 6.7664073292e-01 -1.2090308362e+00 1.2800000000e+04 5.3036055908e-03 1.0000000000e+00
480 -4.8573413157e-01 5.0140868848e-01 -1.1653063976e+00 6.7957226600e-01 -1.1653063976e+00 1.2800000000e+04 5.3052353223e-03 1.0000000000e+00
481 -4.6254655602e-01 4.9099650823e-01 -1.1459366513e+00 6.8339009527e-01 -1.1459366513e+00 1.2800000000e+04 5.3010819092e-03 1.0000000000e+00
482 -4.5227036122e-01 4.8444303012e-01 -1.1369452114e+00 6.8467485015e-01 -1.1369452114e+00 1.2800000000e+04 5.3032914209e-03 1.0000000000e+00
483 -4.3126575906e-01 4.0913247869e-01 -1.1022017854e+00 6.7093602630e-01 -1.1022017854e+00 1.2800000000e+04 5.3006955029e-03 1.0000000000e+00
484 -4.2106987648e-01 3.9017253471e-01 -1.0962604300e+00 6.7519055350e-01 -1.0962604300e+00 1.2800000000e+04 5.3051432373e-03 1.0000000000e+00
485 -4.1909727719e-01 3.5815951636e-01 -1.0781986779e+00 6.5910140075e-01 -1.0781986779e+00 1.2800000000e+04 5.3052351514e-03 1.0000000000e+00
486 -4.1571338569e-01 3.2294333508e-01 -1.0576876223e+00 6.4197423666e-01 -1.0576876223e+00 1.2800000000e+04 5.3039136816e-03 1.0000000000e+00
487 -4.2144389710e-01 3.3339745079e-01 -1.0547510785e+00 6.3330718139e-01 -1.0547510785e+00 1.2800000000e+04 5.3033452637e-03 1.0000000000e+00
488 -4.3407254321e-01 3.6199451638e-01 -1.0665114165e+00 6.3243887324e-01 -1.0665114165e+00 1.2800000000e+04 5.3054898633e-03 1.0000000000e+00
489 -4.4060073140e-01 3.7162900554e-01 -1.0902706997e+00 6.4966996826e-01 -1.0902706997e+00 1.2800000000e+04 5.3029195361e-03 1.0000000000e+00
490 -4.2648654642e-01 4.1707771861e-01 -1.1102243873e+00 6.8373784091e-01 -1.1102243873e+00 1.2800000000e+04 5.3074016064e-03 1.0000000000e+00
491 -4.4549565389e-01 4.6437047749e-01 -1.1409595449e+00 6.9546389098e-01 -1.1409595449e+00 1.2800000000e+04 5.3025540039e-03 1.0000000000e+00
492 -4.1279997364e-01 3.7389668265e-01 -1.1011129018e+00 6.8831292819e-01 -1.1011129018e+00 1.2800000000e+04 5.3074421240e-03 1.0000000000e+00
493 -4.2042955864e-01 3.7720795476e-01 -1.1490723145e+00 7.2864275590e-01 -1.1490723145e+00 1.2800000000e+04 5.3043741113e-03 9.9984375000e-01
494 -4.1964384912e-01 4.0830871259e-01 -1.1785781992e+00 7.5893435009e-01 -1.1785781992e+00 1.2800000000e+04 5.3033613477e-03 1.0000000000e+00
495 -4.8069191362e-01 2.4024739458e+00 -1.2346259470e+00 7.5393403335e-01 -1.2346259470e+00 1.2800000000e+04 5.3034157373e-03 1.0000000000e+00
496 -4.2442882024e-01 5.2701620287e-01 -1.1914124655e+00 7.6698364526e-01 -1.1914124655e+00 1.2800000000e+04 5.3049557031e-03 1.0000000000e+00
497 -4.0661586943e-01 4.1782514973e-01 -1.1783322651e+00 7.7171639563e-01 -1.1783322651e+00 1.2800000000e+04 5.3086163574e-03 1.0000000000e+00
498 -3.8924748416e-01 3.5238745961e-01 -1.1601768460e+00 7.7092936182e-01 -1.1601768460e+00 1.2800000000e+04 5.3040583936e-03 1.0000000000e+00
499 -4.0895980047e-01 3.5771592770e-01 -1.1730596439e+00 7.6409984339e-01 -1.1730596439e+00 1.2800000000e+04 5.3054365967e-03 1.0000000000e+00

501
labs/lab1_qmc_statistics/autocorrelation/H.s015.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.1884092673e-01 4.2971399556e-01 -1.1641579119e+00 7.4531698519e-01 -1.1641579119e+00 1.2800000000e+04 5.3073405322e-03 1.0000000000e+00
1 -4.0921417037e-01 3.6590100159e-01 -1.1658240866e+00 7.5660991620e-01 -1.1658240866e+00 1.2800000000e+04 5.3047901904e-03 1.0000000000e+00
2 -4.1040737585e-01 3.4880973176e-01 -1.1576411802e+00 7.4723380430e-01 -1.1576411802e+00 1.2800000000e+04 5.3037127490e-03 1.0000000000e+00
3 -4.4771406324e-01 4.6557552218e-01 -1.1933679971e+00 7.4565393385e-01 -1.1933679971e+00 1.2800000000e+04 5.3010532080e-03 1.0000000000e+00
4 -4.7897425785e-01 7.0560915959e-01 -1.2225597006e+00 7.4358544271e-01 -1.2225597006e+00 1.2800000000e+04 5.3050609717e-03 1.0000000000e+00
5 -4.8755835450e-01 7.8301127841e-01 -1.2599606164e+00 7.7240226190e-01 -1.2599606164e+00 1.2800000000e+04 5.3039022119e-03 1.0000000000e+00
6 -5.1682918618e-01 1.3996044630e+00 -1.2881800206e+00 7.7135083438e-01 -1.2881800206e+00 1.2800000000e+04 5.3002817285e-03 1.0000000000e+00
7 -5.1804860127e-01 9.0188740453e-01 -1.2986212952e+00 7.8057269393e-01 -1.2986212952e+00 1.2800000000e+04 5.3039140283e-03 1.0000000000e+00
8 -6.7783851834e-01 4.9839985631e+00 -1.4680301191e+00 7.9019160077e-01 -1.4680301191e+00 1.2800000000e+04 5.3048836133e-03 1.0000000000e+00
9 -4.9708852379e-01 5.9242838557e-01 -1.2766412624e+00 7.7955273862e-01 -1.2766412624e+00 1.2800000000e+04 5.3014014600e-03 1.0000000000e+00
10 -4.6738185043e-01 4.1661509405e-01 -1.2444125231e+00 7.7703067268e-01 -1.2444125231e+00 1.2800000000e+04 5.2993535596e-03 1.0000000000e+00
11 -4.6083028882e-01 4.1896297674e-01 -1.2503224143e+00 7.8949212544e-01 -1.2503224143e+00 1.2800000000e+04 5.3044701318e-03 1.0000000000e+00
12 -4.2693538037e-01 3.5578874971e-01 -1.1912270868e+00 7.6429170646e-01 -1.1912270868e+00 1.2800000000e+04 5.3006247803e-03 1.0000000000e+00
13 -4.1290520530e-01 3.3181174174e-01 -1.1551483927e+00 7.4224318744e-01 -1.1551483927e+00 1.2800000000e+04 5.3028597119e-03 1.0000000000e+00
14 -4.4022553818e-01 3.8594621532e-01 -1.1766624613e+00 7.3643692310e-01 -1.1766624613e+00 1.2800000000e+04 5.3029357568e-03 1.0000000000e+00
15 -4.8048967876e-01 4.5880915005e-01 -1.2188603375e+00 7.3837065876e-01 -1.2188603375e+00 1.2800000000e+04 5.3047983887e-03 1.0000000000e+00
16 -5.0740250628e-01 5.5909660060e-01 -1.2521945082e+00 7.4479200192e-01 -1.2521945082e+00 1.2800000000e+04 5.3039412842e-03 1.0000000000e+00
17 -5.3044709615e-01 9.6567867757e-01 -1.2684736718e+00 7.3802657561e-01 -1.2684736718e+00 1.2800000000e+04 5.3028436865e-03 1.0000000000e+00
18 -5.0309644232e-01 7.7147356832e-01 -1.3008476800e+00 7.9775123768e-01 -1.3008476800e+00 1.2800000000e+04 5.3052089404e-03 1.0000000000e+00
19 -5.2050772150e-01 1.1213565645e+00 -1.3593035112e+00 8.3879578968e-01 -1.3593035112e+00 1.2800000000e+04 5.3009858447e-03 1.0000000000e+00
20 -4.7519942004e-01 7.1017448200e-01 -1.3447088899e+00 8.6950946990e-01 -1.3447088899e+00 1.2800000000e+04 5.2995795459e-03 1.0000000000e+00
21 -4.3016992171e-01 4.6159509848e-01 -1.3134387497e+00 8.8326882803e-01 -1.3134387497e+00 1.2800000000e+04 5.3007774414e-03 1.0000000000e+00
22 -4.3046214535e-01 4.1842128191e-01 -1.3220813710e+00 8.9161922566e-01 -1.3220813710e+00 1.2800000000e+04 5.3028348340e-03 1.0000000000e+00
23 -4.5136859357e-01 5.3033188807e-01 -1.3242508660e+00 8.7288227245e-01 -1.3242508660e+00 1.2800000000e+04 5.2991903027e-03 1.0000000000e+00
24 -4.3000473939e-01 4.2444114419e-01 -1.2791338447e+00 8.4912910533e-01 -1.2791338447e+00 1.2800000000e+04 5.3030669141e-03 1.0000000000e+00
25 -4.4239156335e-01 4.5033103698e-01 -1.2822159714e+00 8.3982440801e-01 -1.2822159714e+00 1.2800000000e+04 5.3036853516e-03 1.0000000000e+00
26 -4.4598289529e-01 6.0714717714e-01 -1.2999234930e+00 8.5394059772e-01 -1.2999234930e+00 1.2800000000e+04 5.3030194531e-03 1.0000000000e+00
27 -4.8795652445e-01 2.0419769754e+00 -1.3729437446e+00 8.8498722019e-01 -1.3729437446e+00 1.2800000000e+04 5.2962022852e-03 9.9992187500e-01
28 -5.3978357895e-01 2.5191463795e+00 -1.4215532204e+00 8.8176964145e-01 -1.4215532204e+00 1.2800000000e+04 5.2992210498e-03 1.0000000000e+00
29 -5.3074027568e-01 1.7743180106e+00 -1.4031418418e+00 8.7240156612e-01 -1.4031418418e+00 1.2800000000e+04 5.3017861133e-03 1.0000000000e+00
30 -4.4152932582e-01 5.8118352596e-01 -1.3092016616e+00 8.6767233577e-01 -1.3092016616e+00 1.2800000000e+04 5.3034887256e-03 1.0000000000e+00
31 -4.7293328695e-01 5.6586492589e-01 -1.3408283354e+00 8.6789504844e-01 -1.3408283354e+00 1.2800000000e+04 5.3016185010e-03 1.0000000000e+00
32 -4.0982177034e-01 4.6517008830e-01 -1.2942582325e+00 8.8443646215e-01 -1.2942582325e+00 1.2800000000e+04 5.3018698291e-03 1.0000000000e+00
33 -3.8894851552e-01 3.4612999932e-01 -1.2516277822e+00 8.6267926669e-01 -1.2516277822e+00 1.2800000000e+04 5.3018143359e-03 1.0000000000e+00
34 -4.0060637683e-01 3.7673544946e-01 -1.2596528885e+00 8.5904651170e-01 -1.2596528885e+00 1.2800000000e+04 5.3027927783e-03 1.0000000000e+00
35 -4.3761648804e-01 4.8956046368e-01 -1.2749822534e+00 8.3736576533e-01 -1.2749822534e+00 1.2800000000e+04 5.3059448779e-03 1.0000000000e+00
36 -4.5759614363e-01 5.0472912328e-01 -1.3072114079e+00 8.4961526431e-01 -1.3072114079e+00 1.2800000000e+04 5.3048419141e-03 1.0000000000e+00
37 -4.7427104355e-01 6.5914271958e-01 -1.3273125088e+00 8.5304146527e-01 -1.3273125088e+00 1.2800000000e+04 5.3044968799e-03 1.0000000000e+00
38 -4.6478088326e-01 6.6356753838e-01 -1.3425215034e+00 8.7774062016e-01 -1.3425215034e+00 1.2800000000e+04 5.3064296631e-03 1.0000000000e+00
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465 -5.6716523257e-01 6.7839512045e+00 -1.3337212535e+00 7.6655602091e-01 -1.3337212535e+00 1.2800000000e+04 5.3083245117e-03 1.0000000000e+00
466 -4.6262351013e-01 5.0677753452e-01 -1.2300768282e+00 7.6745331808e-01 -1.2300768282e+00 1.2800000000e+04 5.3030332227e-03 1.0000000000e+00
467 -4.7689103871e-01 7.1858140049e-01 -1.2530366356e+00 7.7614559687e-01 -1.2530366356e+00 1.2800000000e+04 5.3034780469e-03 1.0000000000e+00
468 -4.6094026037e-01 6.2386848176e-01 -1.2257462251e+00 7.6480596477e-01 -1.2257462251e+00 1.2800000000e+04 5.3004901563e-03 1.0000000000e+00
469 -4.9024481421e-01 9.4881273060e-01 -1.2805842466e+00 7.9033943242e-01 -1.2805842466e+00 1.2800000000e+04 5.3030935596e-03 1.0000000000e+00
470 -5.4749356540e-01 1.6618108346e+00 -1.3533475490e+00 8.0585398356e-01 -1.3533475490e+00 1.2800000000e+04 5.3047807080e-03 1.0000000000e+00
471 -4.8177243485e-01 6.5497217002e-01 -1.2873268455e+00 8.0555441067e-01 -1.2873268455e+00 1.2800000000e+04 5.3043588672e-03 1.0000000000e+00
472 -4.4830656722e-01 4.1027632457e-01 -1.2596790211e+00 8.1137245391e-01 -1.2596790211e+00 1.2800000000e+04 5.3041489404e-03 1.0000000000e+00
473 -4.5865589300e-01 4.1544381909e-01 -1.2725657976e+00 8.1390990457e-01 -1.2725657976e+00 1.2800000000e+04 5.3032338574e-03 1.0000000000e+00
474 -4.5331410024e-01 4.5175244166e-01 -1.2782165267e+00 8.2490242641e-01 -1.2782165267e+00 1.2800000000e+04 5.3026242139e-03 1.0000000000e+00
475 -4.3762653757e-01 4.4256207161e-01 -1.2451071139e+00 8.0748057630e-01 -1.2451071139e+00 1.2800000000e+04 5.3055853271e-03 1.0000000000e+00
476 -4.9857222659e-01 1.3953359141e+00 -1.2928769494e+00 7.9430472277e-01 -1.2928769494e+00 1.2800000000e+04 5.3077739844e-03 1.0000000000e+00
477 -4.9784776730e-01 1.3232856399e+00 -1.2649052724e+00 7.6705750507e-01 -1.2649052724e+00 1.2800000000e+04 5.3018738721e-03 1.0000000000e+00
478 -4.6886646249e-01 1.1854476938e+00 -1.2204413717e+00 7.5157490916e-01 -1.2204413717e+00 1.2800000000e+04 5.3067876953e-03 1.0000000000e+00
479 -4.5858823369e-01 6.6856673592e-01 -1.2143982594e+00 7.5581002570e-01 -1.2143982594e+00 1.2800000000e+04 5.3045022559e-03 1.0000000000e+00
480 -6.0760819946e-01 4.6371832331e+00 -1.3556511033e+00 7.4804290383e-01 -1.3556511033e+00 1.2800000000e+04 5.3024110449e-03 1.0000000000e+00
481 -4.9792139420e-01 1.4752349053e+00 -1.2565731897e+00 7.5865179548e-01 -1.2565731897e+00 1.2800000000e+04 5.3034849023e-03 1.0000000000e+00
482 -4.4248520009e-01 7.0758080165e-01 -1.2140827035e+00 7.7159750339e-01 -1.2140827035e+00 1.2800000000e+04 5.3063405713e-03 1.0000000000e+00
483 -4.1404869770e-01 4.5826144218e-01 -1.2136137096e+00 7.9956501193e-01 -1.2136137096e+00 1.2800000000e+04 5.3031849561e-03 1.0000000000e+00
484 -4.0350005771e-01 4.3900488431e-01 -1.2259812023e+00 8.2248114456e-01 -1.2259812023e+00 1.2800000000e+04 5.3042952246e-03 1.0000000000e+00
485 -3.9646795366e-01 4.0748313038e-01 -1.2304338895e+00 8.3396593583e-01 -1.2304338895e+00 1.2800000000e+04 5.3011083154e-03 1.0000000000e+00
486 -4.4476081809e-01 5.0578064486e-01 -1.2893491168e+00 8.4458829874e-01 -1.2893491168e+00 1.2800000000e+04 5.3050548535e-03 1.0000000000e+00
487 -4.6565858519e-01 5.9471971879e-01 -1.3146390159e+00 8.4898043068e-01 -1.3146390159e+00 1.2800000000e+04 5.3033922363e-03 1.0000000000e+00
488 -4.7172700534e-01 7.4440093456e-01 -1.3107883441e+00 8.3906133879e-01 -1.3107883441e+00 1.2800000000e+04 5.3079642529e-03 1.0000000000e+00
489 -4.2679877409e-01 4.9687662985e-01 -1.2650336873e+00 8.3823491318e-01 -1.2650336873e+00 1.2800000000e+04 5.3066475000e-03 1.0000000000e+00
490 -4.1107084353e-01 4.8947458551e-01 -1.2691663549e+00 8.5809551134e-01 -1.2691663549e+00 1.2800000000e+04 5.3022554004e-03 1.0000000000e+00
491 -3.6044903457e-01 3.0558207306e-01 -1.2355416998e+00 8.7509266524e-01 -1.2355416998e+00 1.2800000000e+04 5.3024459619e-03 1.0000000000e+00
492 -3.6155207340e-01 2.9858617968e-01 -1.2206790214e+00 8.5912694802e-01 -1.2206790214e+00 1.2800000000e+04 5.3029094922e-03 1.0000000000e+00
493 -3.5820132738e-01 3.0978546083e-01 -1.2211211818e+00 8.6291985439e-01 -1.2211211818e+00 1.2800000000e+04 5.3066710840e-03 1.0000000000e+00
494 -3.9289463394e-01 4.0636365490e-01 -1.2382202953e+00 8.4532566137e-01 -1.2382202953e+00 1.2800000000e+04 5.3029540332e-03 1.0000000000e+00
495 -4.3288162846e-01 6.6980226222e-01 -1.2603248712e+00 8.2744324272e-01 -1.2603248712e+00 1.2800000000e+04 5.3029226611e-03 1.0000000000e+00
496 -3.8459507522e-01 4.0490279517e-01 -1.2148150979e+00 8.3022002270e-01 -1.2148150979e+00 1.2800000000e+04 5.3033766406e-03 1.0000000000e+00
497 -3.8065723174e-01 3.3729263720e-01 -1.2301936946e+00 8.4953646283e-01 -1.2301936946e+00 1.2800000000e+04 5.3046662451e-03 1.0000000000e+00
498 -4.0569626863e-01 3.7798320072e-01 -1.2560314005e+00 8.5033513184e-01 -1.2560314005e+00 1.2800000000e+04 5.3055103906e-03 1.0000000000e+00
499 -4.7794483887e-01 8.4189858530e-01 -1.3114420416e+00 8.3349720275e-01 -1.3114420416e+00 1.2800000000e+04 5.3030890088e-03 1.0000000000e+00

159
labs/lab1_qmc_statistics/autocorrelation/H.xml Normal file
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@ -0,0 +1,159 @@
<?xml version="1.0"?>
<simulation>
<project id="H" series="0">
<application name="qmcapp" role="molecu" class="serial" version="0.2">
QMC of H atom
</application>
</project>
<random seed="-1"/>
<particleset name="e">
<group name="u" size="1">
<parameter name="charge">-1</parameter>
<attrib name="position" datatype="posArray">
-0.500000 0.5000000 -0.50000
</attrib>
</group>
</particleset>
<particleset name="ion0" size="1">
<group name="H">
<parameter name="charge">1</parameter>
</group>
<attrib name="position" datatype="posArray">
0.0 0.0 0.0
</attrib>
</particleset>
<wavefunction name="psi0" target="e">
<determinantset name="LCAOBSet" type="MolecularOrbital" transform="yes" source="ion0">
<basisset name="LCAOBSet">
<atomicBasisSet name="STO-2G" angular="cartesian" type="Gaussian" elementType="H" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<basisGroup rid="H00" n="0" l="0" type="Gaussian">
<radfunc exponent="1.309756377000e+00" contraction="4.301284940000e-01"/>
<radfunc exponent="2.331359740000e-01" contraction="6.789135310000e-01"/>
</basisGroup>
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
</determinant>
</slaterdeterminant>
</determinantset>
</wavefunction>
<hamiltonian name="h0" type="generic" target="e">
<pairpot name="ElecElec" type="coulomb" source="e" target="e"/>
<pairpot name="Coulomb" type="coulomb" source="ion0" target="e"/>
<constant name="IonIon" type="coulomb" source="ion0" target="ion0"/>
</hamiltonian>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">10</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">5</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">2</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">1</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.5</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.2</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.1</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.05</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.02</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.01</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.005</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.002</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.0005</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.0002</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.0001</parameter>
</qmc>
</simulation>

11
labs/lab1_qmc_statistics/average/average.py Executable file
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@ -0,0 +1,11 @@
#!/usr/bin/env python
average = (
(-0.45298911858) +
(-0.45481953564) +
(-0.48066105923) +
(-0.47316713469) +
(-0.46204733302)
)/5.
print average

12
labs/lab1_qmc_statistics/average/stddev.py Executable file
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@ -0,0 +1,12 @@
#!/usr/bin/env python
stddev = (1./(5.*(5.-1.)) * (
(-0.45298911858-(-0.464736835668))**2 +
(-0.45481953564-(-0.464736835668))**2 +
(-0.48066105923-(-0.464736835668))**2 +
(-0.47316713469-(-0.464736835668))**2 +
(-0.46204733302-(-0.464736835668))**2
)
)**0.5
print stddev

12
labs/lab1_qmc_statistics/average/stddev2.py Executable file
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@ -0,0 +1,12 @@
#!/usr/bin/env python
stddev = ( (1./(5.-1.)) * (
(0.60984565298-(-0.45298911858)**2) +
(0.61641291630-(-0.45481953564)**2) +
(1.35860151160-(-0.48066105923)**2) +
(0.78720769003-(-0.47316713469)**2) +
(0.56393677687-(-0.46204733302)**2)
)
)**0.5
print stddev

501
labs/lab1_qmc_statistics/basis/H_STO-2G.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.5298911858e-01 6.0984565298e-01 -1.1708693521e+00 7.1788023352e-01 -1.1708693521e+00 1.2800000000e+04 6.0178991748e-03 9.8515625000e-01
1 -4.5481953564e-01 6.1641291630e-01 -1.1863425644e+00 7.3152302871e-01 -1.1863425644e+00 1.2800000000e+04 5.8323097461e-03 9.8562500000e-01
2 -4.8066105923e-01 1.3586015116e+00 -1.1766446209e+00 6.9598356165e-01 -1.1766446209e+00 1.2800000000e+04 5.8213412744e-03 9.8531250000e-01
3 -4.7316713469e-01 7.8720769003e-01 -1.1799481122e+00 7.0678097751e-01 -1.1799481122e+00 1.2800000000e+04 5.8330412549e-03 9.8828125000e-01
4 -4.6204733302e-01 5.6393677687e-01 -1.1619244081e+00 6.9987707508e-01 -1.1619244081e+00 1.2800000000e+04 5.8108362256e-03 9.8625000000e-01
5 -4.4313854290e-01 6.0831516179e-01 -1.2064503041e+00 7.6331176120e-01 -1.2064503041e+00 1.2800000000e+04 5.8254170264e-03 9.8625000000e-01
6 -4.5064926960e-01 5.9891422196e-01 -1.1521370176e+00 7.0148774798e-01 -1.1521370176e+00 1.2800000000e+04 5.8314813086e-03 9.8679687500e-01
7 -4.5687452611e-01 5.8139614676e-01 -1.1423627617e+00 6.8548823555e-01 -1.1423627617e+00 1.2800000000e+04 5.8258469971e-03 9.8726562500e-01
8 -4.5018503739e-01 8.4147849706e-01 -1.1842075439e+00 7.3402250655e-01 -1.1842075439e+00 1.2800000000e+04 5.8158433545e-03 9.8468750000e-01
9 -4.3862013841e-01 5.5477715836e-01 -1.2080979177e+00 7.6947777925e-01 -1.2080979177e+00 1.2800000000e+04 5.7959401123e-03 9.8539062500e-01
10 -4.5791153007e-01 6.0138927970e-01 -1.1353088208e+00 6.7739729068e-01 -1.1353088208e+00 1.2800000000e+04 5.8204662207e-03 9.8562500000e-01
11 -4.6353069662e-01 8.1222513185e-01 -1.1816447482e+00 7.1811405154e-01 -1.1816447482e+00 1.2800000000e+04 5.8378427930e-03 9.8664062500e-01
12 -4.5865881127e-01 7.0268353090e-01 -1.1601220665e+00 7.0146325525e-01 -1.1601220665e+00 1.2800000000e+04 5.8299140234e-03 9.8656250000e-01
13 -4.3846302063e-01 7.4457683787e-01 -1.2563266080e+00 8.1786358741e-01 -1.2563266080e+00 1.2800000000e+04 5.8239151855e-03 9.8632812500e-01
14 -4.5068572293e-01 6.0226458066e-01 -1.1888498591e+00 7.3816413622e-01 -1.1888498591e+00 1.2800000000e+04 5.8064188281e-03 9.8539062500e-01
15 -4.3816209316e-01 5.6515677610e-01 -1.1499660387e+00 7.1180394558e-01 -1.1499660387e+00 1.2800000000e+04 5.8297365283e-03 9.8617187500e-01
16 -4.7241181255e-01 7.0149650305e-01 -1.1523315578e+00 6.7991974526e-01 -1.1523315578e+00 1.2800000000e+04 5.8177384424e-03 9.8531250000e-01
17 -4.5302636441e-01 5.5508361049e-01 -1.1426585165e+00 6.8963215208e-01 -1.1426585165e+00 1.2800000000e+04 5.8202933984e-03 9.8460937500e-01
18 -4.5782213514e-01 7.6487410290e-01 -1.2030357453e+00 7.4521361013e-01 -1.2030357453e+00 1.2800000000e+04 5.8206455615e-03 9.8515625000e-01
19 -4.6635037994e-01 1.8182574986e+00 -1.1761497455e+00 7.0979936558e-01 -1.1761497455e+00 1.2800000000e+04 5.8067459180e-03 9.8640625000e-01
20 -4.5841707138e-01 7.0825060159e-01 -1.2012275308e+00 7.4281045937e-01 -1.2012275308e+00 1.2800000000e+04 5.8285895361e-03 9.8656250000e-01
21 -4.5936382993e-01 6.8521807935e-01 -1.2017023426e+00 7.4233851270e-01 -1.2017023426e+00 1.2800000000e+04 5.8254068115e-03 9.8570312500e-01
22 -4.4023825329e-01 5.9781382546e-01 -1.2094503406e+00 7.6921208728e-01 -1.2094503406e+00 1.2800000000e+04 5.8299661035e-03 9.8710937500e-01
23 -4.5411428000e-01 4.9904220387e-01 -1.1350953586e+00 6.8098107860e-01 -1.1350953586e+00 1.2800000000e+04 5.8216890771e-03 9.8523437500e-01
24 -4.6486624346e-01 5.3761062470e-01 -1.1095842543e+00 6.4471801080e-01 -1.1095842543e+00 1.2800000000e+04 5.8031559424e-03 9.8515625000e-01
25 -4.7241133810e-01 8.8318132383e-01 -1.1308262390e+00 6.5841490091e-01 -1.1308262390e+00 1.2800000000e+04 5.8297327051e-03 9.8742187500e-01
26 -4.4991722330e-01 5.6895644492e-01 -1.1752933473e+00 7.2537612402e-01 -1.1752933473e+00 1.2800000000e+04 5.8226168506e-03 9.8500000000e-01
27 -4.4945662185e-01 6.1905943993e-01 -1.2082753720e+00 7.5881875015e-01 -1.2082753720e+00 1.2800000000e+04 5.8155699219e-03 9.8460937500e-01
28 -4.6614869027e-01 6.0342362639e-01 -1.1434005663e+00 6.7725187603e-01 -1.1434005663e+00 1.2800000000e+04 5.8298731104e-03 9.8773437500e-01
29 -4.4867885627e-01 6.6371999377e-01 -1.2089249899e+00 7.6024613359e-01 -1.2089249899e+00 1.2800000000e+04 5.8037394629e-03 9.8507812500e-01
30 -4.4291741659e-01 5.3073214410e-01 -1.1422381468e+00 6.9932073019e-01 -1.1422381468e+00 1.2800000000e+04 5.8237565967e-03 9.8523437500e-01
31 -4.5449746238e-01 6.2979144413e-01 -1.1714666786e+00 7.1696921626e-01 -1.1714666786e+00 1.2800000000e+04 5.8192064648e-03 9.8515625000e-01
32 -4.3343907379e-01 7.6529204960e-01 -1.2456427731e+00 8.1220369933e-01 -1.2456427731e+00 1.2800000000e+04 5.8202614502e-03 9.8492187500e-01
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447 -4.6886016931e-01 9.8692108196e-01 -1.1994908826e+00 7.3063071333e-01 -1.1994908826e+00 1.2800000000e+04 5.8339405127e-03 9.8742187500e-01
448 -4.7258505132e-01 6.9654820210e-01 -1.1774849044e+00 7.0489985305e-01 -1.1774849044e+00 1.2800000000e+04 5.8362269873e-03 9.8640625000e-01
449 -4.5180583587e-01 6.1277820410e-01 -1.1841246273e+00 7.3231879143e-01 -1.1841246273e+00 1.2800000000e+04 5.8177224512e-03 9.8445312500e-01
450 -4.5561648145e-01 7.1407457466e-01 -1.2255847348e+00 7.6996825332e-01 -1.2255847348e+00 1.2800000000e+04 5.8161191309e-03 9.8445312500e-01
451 -4.6287383900e-01 5.9705660763e-01 -1.1619186854e+00 6.9904484636e-01 -1.1619186854e+00 1.2800000000e+04 5.8231729443e-03 9.8773437500e-01
452 -4.5292331854e-01 6.6454171562e-01 -1.1809117184e+00 7.2798839981e-01 -1.1809117184e+00 1.2800000000e+04 5.8147021973e-03 9.8476562500e-01
453 -4.5298812039e-01 6.6134049772e-01 -1.2202652539e+00 7.6727713349e-01 -1.2202652539e+00 1.2800000000e+04 5.8179003760e-03 9.8437500000e-01
454 -4.2714976709e-01 5.4768261400e-01 -1.2380001612e+00 8.1085039407e-01 -1.2380001612e+00 1.2800000000e+04 5.8288830566e-03 9.8726562500e-01
455 -4.5276456211e-01 9.3987681311e-01 -1.1986978015e+00 7.4593323943e-01 -1.1986978015e+00 1.2800000000e+04 5.8246797021e-03 9.8515625000e-01
456 -4.4498655342e-01 5.6415515291e-01 -1.1858934908e+00 7.4090693735e-01 -1.1858934908e+00 1.2800000000e+04 5.8105951514e-03 9.8632812500e-01
457 -4.5727434082e-01 6.5706912332e-01 -1.2059313720e+00 7.4865703116e-01 -1.2059313720e+00 1.2800000000e+04 5.8106922070e-03 9.8390625000e-01
458 -4.4866733104e-01 5.9245481863e-01 -1.2015467329e+00 7.5287940185e-01 -1.2015467329e+00 1.2800000000e+04 5.8405945459e-03 9.8695312500e-01
459 -4.5203597673e-01 6.7758921850e-01 -1.1669971307e+00 7.1496115396e-01 -1.1669971307e+00 1.2800000000e+04 5.8370341748e-03 9.8789062500e-01
460 -4.3972735083e-01 7.2651396656e-01 -1.2143077023e+00 7.7458035145e-01 -1.2143077023e+00 1.2800000000e+04 5.8185625879e-03 9.8562500000e-01
461 -4.4763649389e-01 7.2617595285e-01 -1.2027146343e+00 7.5507814040e-01 -1.2027146343e+00 1.2800000000e+04 5.8255623535e-03 9.8617187500e-01
462 -4.4230759615e-01 6.0639499881e-01 -1.2155327278e+00 7.7322513169e-01 -1.2155327278e+00 1.2800000000e+04 5.8069992285e-03 9.8539062500e-01
463 -4.5973002041e-01 6.7207472474e-01 -1.1977280020e+00 7.3799798154e-01 -1.1977280020e+00 1.2800000000e+04 5.8228083496e-03 9.8468750000e-01
464 -4.5451689777e-01 9.0811631398e-01 -1.2308976051e+00 7.7638070737e-01 -1.2308976051e+00 1.2800000000e+04 5.8178806592e-03 9.8367187500e-01
465 -4.4721874392e-01 7.5033637356e-01 -1.2124167640e+00 7.6519802013e-01 -1.2124167640e+00 1.2800000000e+04 5.8210846436e-03 9.8578125000e-01
466 -4.7124980288e-01 6.9740245839e-01 -1.2083126523e+00 7.3706284944e-01 -1.2083126523e+00 1.2800000000e+04 5.8172213184e-03 9.8460937500e-01
467 -4.4670486715e-01 8.2458988597e-01 -1.2479483016e+00 8.0124343442e-01 -1.2479483016e+00 1.2800000000e+04 5.8085598193e-03 9.8562500000e-01
468 -4.4672722152e-01 6.1326628080e-01 -1.2077129698e+00 7.6098574830e-01 -1.2077129698e+00 1.2800000000e+04 5.8205014111e-03 9.8484375000e-01
469 -4.4086428559e-01 6.6949246395e-01 -1.1999056435e+00 7.5904135792e-01 -1.1999056435e+00 1.2800000000e+04 5.8160220215e-03 9.8500000000e-01
470 -4.6709334775e-01 6.6426314231e-01 -1.1955414877e+00 7.2844813994e-01 -1.1955414877e+00 1.2800000000e+04 5.8269618066e-03 9.8593750000e-01
471 -4.5747212365e-01 5.1870926030e-01 -1.1443922657e+00 6.8692014210e-01 -1.1443922657e+00 1.2800000000e+04 5.8216870898e-03 9.8593750000e-01
472 -4.5131516264e-01 7.4277061910e-01 -1.2042489532e+00 7.5293379058e-01 -1.2042489532e+00 1.2800000000e+04 5.8106383057e-03 9.8656250000e-01
473 -4.5629267397e-01 9.9316688261e-01 -1.2337833421e+00 7.7749066813e-01 -1.2337833421e+00 1.2800000000e+04 5.8201519287e-03 9.8445312500e-01
474 -4.5508031862e-01 7.3175918234e-01 -1.1845729850e+00 7.2949266636e-01 -1.1845729850e+00 1.2800000000e+04 5.8223190039e-03 9.8570312500e-01
475 -4.6882601705e-01 6.3874353415e-01 -1.1862591062e+00 7.1743308913e-01 -1.1862591062e+00 1.2800000000e+04 5.8266161426e-03 9.8679687500e-01
476 -4.6351444366e-01 6.2049802130e-01 -1.1781037988e+00 7.1458935509e-01 -1.1781037988e+00 1.2800000000e+04 5.8149138086e-03 9.8398437500e-01
477 -4.3517072488e-01 6.8373948611e-01 -1.2645847311e+00 8.2941400618e-01 -1.2645847311e+00 1.2800000000e+04 5.7975445215e-03 9.8289062500e-01
478 -4.6715132073e-01 9.8672343018e-01 -1.1970357795e+00 7.2988445879e-01 -1.1970357795e+00 1.2800000000e+04 5.8233810938e-03 9.8578125000e-01
479 -4.6373927228e-01 2.1619490744e+00 -1.1884661912e+00 7.2472691888e-01 -1.1884661912e+00 1.2800000000e+04 5.8123016211e-03 9.8460937500e-01
480 -4.6321653130e-01 6.1468276222e-01 -1.1598942559e+00 6.9667772455e-01 -1.1598942559e+00 1.2800000000e+04 5.8295657520e-03 9.8648437500e-01
481 -4.5024116181e-01 8.7839387173e-01 -1.1822018519e+00 7.3196069012e-01 -1.1822018519e+00 1.2800000000e+04 5.8277150684e-03 9.8632812500e-01
482 -4.3532523081e-01 6.1147673595e-01 -1.1976375502e+00 7.6231231942e-01 -1.1976375502e+00 1.2800000000e+04 5.7986507520e-03 9.8398437500e-01
483 -4.4048607858e-01 6.4690761281e-01 -1.2164336172e+00 7.7594753860e-01 -1.2164336172e+00 1.2800000000e+04 5.8240316895e-03 9.8460937500e-01
484 -4.4339244578e-01 5.7884545798e-01 -1.2195389061e+00 7.7614646036e-01 -1.2195389061e+00 1.2800000000e+04 5.8201732959e-03 9.8507812500e-01
485 -4.5862049740e-01 2.3217178693e+00 -1.2332984200e+00 7.7467792263e-01 -1.2332984200e+00 1.2800000000e+04 5.8332854639e-03 9.8640625000e-01
486 -4.7870786610e-01 2.4640508900e+00 -1.1361002651e+00 6.5739239904e-01 -1.1361002651e+00 1.2800000000e+04 5.8265163037e-03 9.8601562500e-01
487 -4.6057721332e-01 5.5838489228e-01 -1.1343953693e+00 6.7381815595e-01 -1.1343953693e+00 1.2800000000e+04 5.7989470410e-03 9.8398437500e-01
488 -4.6132022383e-01 6.5841400662e-01 -1.1976103476e+00 7.3629012378e-01 -1.1976103476e+00 1.2800000000e+04 5.8146625488e-03 9.8421875000e-01
489 -4.5790221608e-01 6.0336834582e-01 -1.1868615298e+00 7.2895931374e-01 -1.1868615298e+00 1.2800000000e+04 5.8233935059e-03 9.8562500000e-01
490 -4.6114616133e-01 6.3521142934e-01 -1.2115249749e+00 7.5037881362e-01 -1.2115249749e+00 1.2800000000e+04 5.8259004297e-03 9.8570312500e-01
491 -4.5926641059e-01 6.1527174108e-01 -1.2000441130e+00 7.4077770237e-01 -1.2000441130e+00 1.2800000000e+04 5.8191065381e-03 9.8625000000e-01
492 -4.4512442452e-01 7.8854264877e-01 -1.2246815966e+00 7.7955717204e-01 -1.2246815966e+00 1.2800000000e+04 5.8030822168e-03 9.8398437500e-01
493 -4.6587929888e-01 6.7172492746e-01 -1.2179391545e+00 7.5205985558e-01 -1.2179391545e+00 1.2800000000e+04 5.8222976855e-03 9.8593750000e-01
494 -4.4268743093e-01 5.5279809181e-01 -1.1634856864e+00 7.2079825546e-01 -1.1634856864e+00 1.2800000000e+04 5.8246930420e-03 9.8679687500e-01
495 -4.5661696105e-01 5.9078503718e-01 -1.1905202320e+00 7.3390327091e-01 -1.1905202320e+00 1.2800000000e+04 5.8208316504e-03 9.8546875000e-01
496 -4.6487207550e-01 5.4240297228e-01 -1.1112142358e+00 6.4634216032e-01 -1.1112142358e+00 1.2800000000e+04 5.8258837109e-03 9.8625000000e-01
497 -4.7422819685e-01 7.1096423475e-01 -1.1518950461e+00 6.7766684928e-01 -1.1518950461e+00 1.2800000000e+04 5.8146202734e-03 9.8640625000e-01
498 -4.6402855005e-01 7.1780470993e-01 -1.1882140217e+00 7.2418547162e-01 -1.1882140217e+00 1.2800000000e+04 5.8292540869e-03 9.8601562500e-01
499 -4.6850397461e-01 7.3852147881e-01 -1.2221031316e+00 7.5359915701e-01 -1.2221031316e+00 1.2800000000e+04 5.8276813135e-03 9.8593750000e-01

501
labs/lab1_qmc_statistics/basis/H_STO-3G.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.6659325217e-01 5.1956885789e-01 -1.2091839278e+00 7.4259067566e-01 -1.2091839278e+00 1.2800000000e+04 5.7413711084e-03 9.8390625000e-01
1 -4.4929622793e-01 4.5592866598e-01 -1.2328969128e+00 7.8360068483e-01 -1.2328969128e+00 1.2800000000e+04 5.8279383984e-03 9.8265625000e-01
2 -4.4798849859e-01 5.8776327512e-01 -1.3111612472e+00 8.6317274860e-01 -1.3111612472e+00 1.2800000000e+04 5.7723185107e-03 9.8085937500e-01
3 -4.7918068339e-01 5.2693020862e-01 -1.1927134068e+00 7.1353272346e-01 -1.1927134068e+00 1.2800000000e+04 5.7812706201e-03 9.8210937500e-01
4 -4.7299629433e-01 6.9378053577e-01 -1.2460016798e+00 7.7300538552e-01 -1.2460016798e+00 1.2800000000e+04 5.7504792627e-03 9.8015625000e-01
5 -4.5470407039e-01 5.0751574253e-01 -1.2549132047e+00 8.0020913429e-01 -1.2549132047e+00 1.2800000000e+04 5.7850815039e-03 9.8296875000e-01
6 -4.7711457044e-01 5.5059220039e-01 -1.2047181434e+00 7.2760357294e-01 -1.2047181434e+00 1.2800000000e+04 5.7916506104e-03 9.8437500000e-01
7 -4.6409200296e-01 6.0690126648e-01 -1.2350133260e+00 7.7092132303e-01 -1.2350133260e+00 1.2800000000e+04 5.7845665674e-03 9.8359375000e-01
8 -4.5368060214e-01 5.1818690493e-01 -1.2757863389e+00 8.2210573675e-01 -1.2757863389e+00 1.2800000000e+04 5.7653857715e-03 9.8031250000e-01
9 -4.4536498910e-01 7.1135933068e-01 -1.2801473689e+00 8.3478237982e-01 -1.2801473689e+00 1.2800000000e+04 5.7619478662e-03 9.8203125000e-01
10 -4.6485457650e-01 6.3500954658e-01 -1.2978284153e+00 8.3297383883e-01 -1.2978284153e+00 1.2800000000e+04 5.7925540039e-03 9.8367187500e-01
11 -4.6647150402e-01 6.2507598659e-01 -1.2256152510e+00 7.5914374702e-01 -1.2256152510e+00 1.2800000000e+04 5.7838312158e-03 9.8250000000e-01
12 -4.8583807123e-01 5.3805671338e-01 -1.1434242283e+00 6.5758615706e-01 -1.1434242283e+00 1.2800000000e+04 5.7810592529e-03 9.8421875000e-01
13 -4.5922430539e-01 5.6834566598e-01 -1.2536441047e+00 7.9441979936e-01 -1.2536441047e+00 1.2800000000e+04 5.7802649854e-03 9.8257812500e-01
14 -4.6062604880e-01 5.1387190021e-01 -1.2267584966e+00 7.6613244778e-01 -1.2267584966e+00 1.2800000000e+04 5.7737533984e-03 9.8523437500e-01
15 -4.6716132223e-01 7.2548428332e-01 -1.2672674137e+00 8.0010609150e-01 -1.2672674137e+00 1.2800000000e+04 5.7909570361e-03 9.8390625000e-01
16 -4.4252818196e-01 4.3813473211e-01 -1.2914238541e+00 8.4889567211e-01 -1.2914238541e+00 1.2800000000e+04 5.7621990527e-03 9.7929687500e-01
17 -4.5152509157e-01 6.8144612889e-01 -1.2879555113e+00 8.3643041974e-01 -1.2879555113e+00 1.2800000000e+04 5.7740724854e-03 9.8265625000e-01
18 -4.8373573979e-01 6.8227701859e-01 -1.1805515673e+00 6.9681582746e-01 -1.1805515673e+00 1.2800000000e+04 5.7926624756e-03 9.8437500000e-01
19 -4.5256454735e-01 5.3631127869e-01 -1.2551948638e+00 8.0263031648e-01 -1.2551948638e+00 1.2800000000e+04 5.7727124023e-03 9.8515625000e-01
20 -4.5634343397e-01 6.5632447273e-01 -1.2679809786e+00 8.1163754468e-01 -1.2679809786e+00 1.2800000000e+04 5.7838617334e-03 9.8257812500e-01
21 -4.6545630611e-01 8.5537714541e-01 -1.2452303670e+00 7.7977406091e-01 -1.2452303670e+00 1.2800000000e+04 5.7876990576e-03 9.8289062500e-01
22 -4.7887973131e-01 6.9514981628e-01 -1.1919465145e+00 7.1306678322e-01 -1.1919465145e+00 1.2800000000e+04 5.7818811621e-03 9.8367187500e-01
23 -4.7560902035e-01 5.6948139256e-01 -1.1918025896e+00 7.1619356923e-01 -1.1918025896e+00 1.2800000000e+04 5.7906108008e-03 9.8500000000e-01
24 -4.8809406281e-01 1.0178377390e+00 -1.1785034321e+00 6.9040936925e-01 -1.1785034321e+00 1.2800000000e+04 5.7699031543e-03 9.8296875000e-01
25 -4.5772797106e-01 8.4536169212e-01 -1.2709899370e+00 8.1326196591e-01 -1.2709899370e+00 1.2800000000e+04 5.7655704443e-03 9.8109375000e-01
26 -4.3368480920e-01 5.6348338868e-01 -1.3143243103e+00 8.8063950111e-01 -1.3143243103e+00 1.2800000000e+04 5.7976104785e-03 9.8390625000e-01
27 -4.6352494296e-01 6.5343991589e-01 -1.2406882457e+00 7.7716330275e-01 -1.2406882457e+00 1.2800000000e+04 5.7926522266e-03 9.8484375000e-01
28 -4.6387304932e-01 6.9911006615e-01 -1.2576714469e+00 7.9379839763e-01 -1.2576714469e+00 1.2800000000e+04 5.7723094189e-03 9.8156250000e-01
29 -4.7144510423e-01 6.8476480541e-01 -1.2218518533e+00 7.5040674903e-01 -1.2218518533e+00 1.2800000000e+04 5.7582782227e-03 9.8140625000e-01
30 -4.4880966323e-01 5.7893553590e-01 -1.2889053824e+00 8.4009571921e-01 -1.2889053824e+00 1.2800000000e+04 5.7716918896e-03 9.8062500000e-01
31 -4.5769483183e-01 5.7651472998e-01 -1.2596169829e+00 8.0192215102e-01 -1.2596169829e+00 1.2800000000e+04 5.7768341113e-03 9.8250000000e-01
32 -4.7502773398e-01 7.4215072666e-01 -1.2160448191e+00 7.4101708509e-01 -1.2160448191e+00 1.2800000000e+04 5.7948889209e-03 9.8562500000e-01
33 -4.6035690498e-01 4.6894526716e-01 -1.2116674575e+00 7.5131055254e-01 -1.2116674575e+00 1.2800000000e+04 5.7796532764e-03 9.8273437500e-01
34 -4.5106776679e-01 5.4598700289e-01 -1.2441069273e+00 7.9303916055e-01 -1.2441069273e+00 1.2800000000e+04 5.7477690527e-03 9.8039062500e-01
35 -4.6651530532e-01 5.9172580234e-01 -1.2229027093e+00 7.5638740402e-01 -1.2229027093e+00 1.2800000000e+04 5.7865885547e-03 9.8406250000e-01
36 -4.5270308511e-01 6.2851992096e-01 -1.2767456356e+00 8.2404255045e-01 -1.2767456356e+00 1.2800000000e+04 5.7863323291e-03 9.8312500000e-01
37 -4.4799271162e-01 1.0439932165e+00 -1.3288488448e+00 8.8085613318e-01 -1.3288488448e+00 1.2800000000e+04 5.7714436719e-03 9.8085937500e-01
38 -4.5123079987e-01 9.4975019783e-01 -1.2847056300e+00 8.3347483014e-01 -1.2847056300e+00 1.2800000000e+04 5.7809902783e-03 9.8226562500e-01
39 -4.7340236028e-01 6.6920114739e-01 -1.2414314319e+00 7.6802907161e-01 -1.2414314319e+00 1.2800000000e+04 5.7522368311e-03 9.8031250000e-01
40 -4.7211220363e-01 6.5101856208e-01 -1.2472951612e+00 7.7518295762e-01 -1.2472951612e+00 1.2800000000e+04 5.7750761572e-03 9.8203125000e-01
41 -4.7616852567e-01 7.8375303747e-01 -1.2409009342e+00 7.6473240849e-01 -1.2409009342e+00 1.2800000000e+04 5.7893517383e-03 9.8382812500e-01
42 -4.6928901166e-01 4.8935075523e-01 -1.1832483880e+00 7.1395937636e-01 -1.1832483880e+00 1.2800000000e+04 5.7910764160e-03 9.8382812500e-01
43 -4.6858651358e-01 6.5829022186e-01 -1.2504847841e+00 7.8189827057e-01 -1.2504847841e+00 1.2800000000e+04 5.7785983105e-03 9.8156250000e-01
44 -4.7017930256e-01 5.4132603348e-01 -1.1915896852e+00 7.2141038261e-01 -1.1915896852e+00 1.2800000000e+04 5.7702831885e-03 9.8359375000e-01
45 -4.5915157319e-01 5.6512263740e-01 -1.2624356021e+00 8.0328402895e-01 -1.2624356021e+00 1.2800000000e+04 5.7639841943e-03 9.7890625000e-01
46 -4.5610203533e-01 4.7858646323e-01 -1.2379970659e+00 7.8189503057e-01 -1.2379970659e+00 1.2800000000e+04 5.7877989502e-03 9.8398437500e-01
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461 -4.7680625910e-01 5.1340192307e-01 -1.2094158679e+00 7.3260960877e-01 -1.2094158679e+00 1.2800000000e+04 5.7891997656e-03 9.8273437500e-01
462 -4.6179955050e-01 7.3295902950e-01 -1.2225007836e+00 7.6070123305e-01 -1.2225007836e+00 1.2800000000e+04 5.7627884277e-03 9.8320312500e-01
463 -4.6935721673e-01 6.8070264318e-01 -1.2103702494e+00 7.4101303268e-01 -1.2103702494e+00 1.2800000000e+04 5.7998548926e-03 9.8414062500e-01
464 -4.7277724651e-01 9.6499203935e-01 -1.2234925806e+00 7.5071533404e-01 -1.2234925806e+00 1.2800000000e+04 5.7907478613e-03 9.8328125000e-01
465 -4.6057964088e-01 5.8753442947e-01 -1.2401660429e+00 7.7958640199e-01 -1.2401660429e+00 1.2800000000e+04 5.7906848926e-03 9.8343750000e-01
466 -4.5821629327e-01 7.4314474602e-01 -1.2553257595e+00 7.9710946626e-01 -1.2553257595e+00 1.2800000000e+04 5.7862722412e-03 9.8351562500e-01
467 -4.5615547762e-01 4.5989551327e-01 -1.2319210464e+00 7.7576556874e-01 -1.2319210464e+00 1.2800000000e+04 5.7577707324e-03 9.8156250000e-01
468 -4.4149446473e-01 5.5093397379e-01 -1.2987770513e+00 8.5728258653e-01 -1.2987770513e+00 1.2800000000e+04 5.7740230713e-03 9.8109375000e-01
469 -4.5758827213e-01 5.8350185569e-01 -1.2371754501e+00 7.7958717797e-01 -1.2371754501e+00 1.2800000000e+04 5.7919657227e-03 9.8304687500e-01
470 -4.6583284747e-01 5.0203481677e-01 -1.2083559407e+00 7.4252309321e-01 -1.2083559407e+00 1.2800000000e+04 5.7926144482e-03 9.8406250000e-01
471 -4.5653843466e-01 4.7890319221e-01 -1.2135541459e+00 7.5701571126e-01 -1.2135541459e+00 1.2800000000e+04 5.7806039502e-03 9.8320312500e-01
472 -4.6815550934e-01 5.6050449956e-01 -1.1849119570e+00 7.1675644770e-01 -1.1849119570e+00 1.2800000000e+04 5.7838115186e-03 9.8578125000e-01
473 -4.8249101632e-01 1.0165397332e+00 -1.1897141679e+00 7.0722315154e-01 -1.1897141679e+00 1.2800000000e+04 5.7882369141e-03 9.8281250000e-01
474 -4.6713633393e-01 4.4416174172e-01 -1.1966966300e+00 7.2956029607e-01 -1.1966966300e+00 1.2800000000e+04 5.7858465527e-03 9.8367187500e-01
475 -4.6194048606e-01 4.9731582322e-01 -1.2278322116e+00 7.6589172558e-01 -1.2278322116e+00 1.2800000000e+04 5.7819495410e-03 9.8257812500e-01
476 -4.6598144577e-01 5.6559125860e-01 -1.2505578112e+00 7.8457636538e-01 -1.2505578112e+00 1.2800000000e+04 5.7757130420e-03 9.8195312500e-01
477 -4.6813407926e-01 5.7319954512e-01 -1.2232657130e+00 7.5513163372e-01 -1.2232657130e+00 1.2800000000e+04 5.7709721484e-03 9.8304687500e-01
478 -4.4741801289e-01 6.9231077652e-01 -1.2957899938e+00 8.4837198091e-01 -1.2957899938e+00 1.2800000000e+04 5.7665128564e-03 9.7976562500e-01
479 -4.5907901241e-01 6.0747518707e-01 -1.2405339883e+00 7.8145497590e-01 -1.2405339883e+00 1.2800000000e+04 5.7701983203e-03 9.8093750000e-01
480 -4.6315661618e-01 9.0373075801e-01 -1.2496422071e+00 7.8648559095e-01 -1.2496422071e+00 1.2800000000e+04 5.7920975977e-03 9.8429687500e-01
481 -4.6224892141e-01 5.3188126242e-01 -1.2377148172e+00 7.7546589584e-01 -1.2377148172e+00 1.2800000000e+04 5.7815133984e-03 9.8242187500e-01
482 -4.6611434070e-01 5.3543018796e-01 -1.2069120526e+00 7.4079771188e-01 -1.2069120526e+00 1.2800000000e+04 5.7766938867e-03 9.8335937500e-01
483 -4.5631204495e-01 5.7376090123e-01 -1.2410978971e+00 7.8478585215e-01 -1.2410978971e+00 1.2800000000e+04 5.7848895361e-03 9.8328125000e-01
484 -4.8572122377e-01 5.3330801904e-01 -1.1747972295e+00 6.8907600575e-01 -1.1747972295e+00 1.2800000000e+04 5.7978294336e-03 9.8476562500e-01
485 -4.6025901264e-01 6.0158073654e-01 -1.2061070564e+00 7.4584804373e-01 -1.2061070564e+00 1.2800000000e+04 5.7861859229e-03 9.8226562500e-01
486 -4.7727021983e-01 5.3849626765e-01 -1.2073898743e+00 7.3011965451e-01 -1.2073898743e+00 1.2800000000e+04 5.7795486719e-03 9.8210937500e-01
487 -4.5765417845e-01 5.9768462193e-01 -1.2865392724e+00 8.2888509395e-01 -1.2865392724e+00 1.2800000000e+04 5.7585267773e-03 9.8140625000e-01
488 -4.7189476637e-01 4.9890197297e-01 -1.2059876418e+00 7.3409287546e-01 -1.2059876418e+00 1.2800000000e+04 5.7934099219e-03 9.8359375000e-01
489 -4.7254594412e-01 8.0041790817e-01 -1.2100863918e+00 7.3754044772e-01 -1.2100863918e+00 1.2800000000e+04 5.7788539600e-03 9.8250000000e-01
490 -4.8099797506e-01 5.5882322132e-01 -1.1774027750e+00 6.9640479990e-01 -1.1774027750e+00 1.2800000000e+04 5.7740625146e-03 9.8132812500e-01
491 -4.7465557604e-01 5.5272817712e-01 -1.1996751543e+00 7.2501957824e-01 -1.1996751543e+00 1.2800000000e+04 5.7798971680e-03 9.8328125000e-01
492 -4.6023130666e-01 5.9279316367e-01 -1.2393211309e+00 7.7908982428e-01 -1.2393211309e+00 1.2800000000e+04 5.7688252979e-03 9.8289062500e-01
493 -4.6600465859e-01 6.9592220890e-01 -1.2355003825e+00 7.6949572390e-01 -1.2355003825e+00 1.2800000000e+04 5.7938011621e-03 9.8476562500e-01
494 -4.6925899073e-01 4.9569264155e-01 -1.2081729950e+00 7.3891400423e-01 -1.2081729950e+00 1.2800000000e+04 5.7882552539e-03 9.8343750000e-01
495 -4.7954413097e-01 1.1432761850e+00 -1.1876657421e+00 7.0812161113e-01 -1.1876657421e+00 1.2800000000e+04 5.7745656592e-03 9.8164062500e-01
496 -4.6802651680e-01 5.0163227151e-01 -1.1875026102e+00 7.1947609343e-01 -1.1875026102e+00 1.2800000000e+04 5.7831632178e-03 9.8265625000e-01
497 -4.6499395969e-01 6.8174577500e-01 -1.2802475119e+00 8.1525355225e-01 -1.2802475119e+00 1.2800000000e+04 5.7555927393e-03 9.8039062500e-01
498 -4.7259254122e-01 6.7975700552e-01 -1.2123747405e+00 7.3978219931e-01 -1.2123747405e+00 1.2800000000e+04 5.7800507471e-03 9.8257812500e-01
499 -4.7316461745e-01 4.3562138953e-01 -1.1669012410e+00 6.9373662352e-01 -1.1669012410e+00 1.2800000000e+04 5.7842745117e-03 9.8382812500e-01

501
labs/lab1_qmc_statistics/basis/H_STO-6G.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.8011246373e-01 5.7249639861e-01 -1.2128819049e+00 7.3276944114e-01 -1.2128819049e+00 1.2800000000e+04 5.6578723877e-03 9.8226562500e-01
1 -4.7939236104e-01 4.8085919104e-01 -1.2356349669e+00 7.5624260584e-01 -1.2356349669e+00 1.2800000000e+04 5.7450352686e-03 9.8476562500e-01
2 -4.6710203557e-01 4.1537943898e-01 -1.2515957983e+00 7.8449376270e-01 -1.2515957983e+00 1.2800000000e+04 5.6795417090e-03 9.8250000000e-01
3 -4.5596905598e-01 5.4101751182e-01 -1.3033197482e+00 8.4735069226e-01 -1.3033197482e+00 1.2800000000e+04 5.6649059619e-03 9.8015625000e-01
4 -4.4861029675e-01 3.6306747097e-01 -1.3299512687e+00 8.8134097191e-01 -1.3299512687e+00 1.2800000000e+04 5.6604725537e-03 9.8109375000e-01
5 -4.6565220159e-01 3.8653394553e-01 -1.2652260531e+00 7.9957385147e-01 -1.2652260531e+00 1.2800000000e+04 5.6855939209e-03 9.8257812500e-01
6 -4.6812116825e-01 3.5555838833e-01 -1.2460864170e+00 7.7796524875e-01 -1.2460864170e+00 1.2800000000e+04 5.6760915234e-03 9.8179687500e-01
7 -4.6402181581e-01 3.3751940605e-01 -1.2536584458e+00 7.8963662995e-01 -1.2536584458e+00 1.2800000000e+04 5.6652355811e-03 9.8062500000e-01
8 -4.6979576801e-01 3.5090253768e-01 -1.2339002691e+00 7.6410450106e-01 -1.2339002691e+00 1.2800000000e+04 5.6773197412e-03 9.8156250000e-01
9 -4.5453869171e-01 3.3274152779e-01 -1.3038798628e+00 8.4934117109e-01 -1.3038798628e+00 1.2800000000e+04 5.6456176904e-03 9.7851562500e-01
10 -4.6488416989e-01 4.7602363397e-01 -1.2735603553e+00 8.0867618537e-01 -1.2735603553e+00 1.2800000000e+04 5.6714987451e-03 9.8031250000e-01
11 -4.6095863602e-01 3.5967536627e-01 -1.2703570615e+00 8.0939842551e-01 -1.2703570615e+00 1.2800000000e+04 5.6655931055e-03 9.7976562500e-01
12 -4.7993371234e-01 3.6819260585e-01 -1.2046094192e+00 7.2467570687e-01 -1.2046094192e+00 1.2800000000e+04 5.6714523730e-03 9.8164062500e-01
13 -4.7220567610e-01 3.5279120014e-01 -1.2164818494e+00 7.4427617327e-01 -1.2164818494e+00 1.2800000000e+04 5.6788324316e-03 9.8250000000e-01
14 -4.7732530377e-01 4.2390238717e-01 -1.2042706026e+00 7.2694529880e-01 -1.2042706026e+00 1.2800000000e+04 5.6563101221e-03 9.8039062500e-01
15 -4.8755621769e-01 3.3704062958e-01 -1.1724298457e+00 6.8487362800e-01 -1.1724298457e+00 1.2800000000e+04 5.6807977393e-03 9.8304687500e-01
16 -4.6766578286e-01 3.6696744082e-01 -1.2426335145e+00 7.7496773168e-01 -1.2426335145e+00 1.2800000000e+04 5.6785538086e-03 9.8132812500e-01
17 -4.7066664079e-01 3.3281727491e-01 -1.2206940846e+00 7.5002744383e-01 -1.2206940846e+00 1.2800000000e+04 5.7040725732e-03 9.8554687500e-01
18 -4.7931363219e-01 4.6086203170e-01 -1.2108676363e+00 7.3155400415e-01 -1.2108676363e+00 1.2800000000e+04 5.6797243457e-03 9.8156250000e-01
19 -4.6144316927e-01 8.5822771905e-01 -1.3297191928e+00 8.6827602356e-01 -1.3297191928e+00 1.2800000000e+04 5.6503853857e-03 9.7914062500e-01
20 -4.8298799837e-01 3.3427155864e-01 -1.1789843190e+00 6.9599632066e-01 -1.1789843190e+00 1.2800000000e+04 5.6850524170e-03 9.8296875000e-01
21 -4.7794994223e-01 4.3580618112e-01 -1.2112642704e+00 7.3331432819e-01 -1.2112642704e+00 1.2800000000e+04 5.6875955811e-03 9.8351562500e-01
22 -4.7252891862e-01 3.7296232693e-01 -1.2270088880e+00 7.5447996939e-01 -1.2270088880e+00 1.2800000000e+04 5.6776597852e-03 9.8265625000e-01
23 -4.8261594609e-01 3.6102520110e-01 -1.1834906610e+00 7.0087471493e-01 -1.1834906610e+00 1.2800000000e+04 5.6818132275e-03 9.8375000000e-01
24 -4.6857664203e-01 4.2302013585e-01 -1.2689465844e+00 8.0036994236e-01 -1.2689465844e+00 1.2800000000e+04 5.6623515869e-03 9.8187500000e-01
25 -4.8280881397e-01 4.2072450955e-01 -1.2060991022e+00 7.2329028822e-01 -1.2060991022e+00 1.2800000000e+04 5.6896266113e-03 9.8437500000e-01
26 -4.7019281328e-01 3.7406048880e-01 -1.2422016251e+00 7.7200881179e-01 -1.2422016251e+00 1.2800000000e+04 5.6691328467e-03 9.8031250000e-01
27 -4.5533628177e-01 3.3551219936e-01 -1.3029609032e+00 8.4762462142e-01 -1.3029609032e+00 1.2800000000e+04 5.6611955225e-03 9.7960937500e-01
28 -4.6171129803e-01 3.9811140379e-01 -1.2740579638e+00 8.1234666579e-01 -1.2740579638e+00 1.2800000000e+04 5.6683020410e-03 9.8031250000e-01
29 -4.6343362816e-01 3.4379270882e-01 -1.2658676452e+00 8.0243401701e-01 -1.2658676452e+00 1.2800000000e+04 5.6608605713e-03 9.8203125000e-01
30 -4.6378766867e-01 4.3298702223e-01 -1.2783647514e+00 8.1457708276e-01 -1.2783647514e+00 1.2800000000e+04 5.6836307227e-03 9.8171875000e-01
31 -4.8204200563e-01 4.8513314813e-01 -1.2114015865e+00 7.2935958087e-01 -1.2114015865e+00 1.2800000000e+04 5.6777300293e-03 9.8046875000e-01
32 -4.6361671037e-01 3.4189607686e-01 -1.2488203248e+00 7.8520361447e-01 -1.2488203248e+00 1.2800000000e+04 5.6784930615e-03 9.8179687500e-01
33 -4.8552427004e-01 3.5319396861e-01 -1.1860377473e+00 7.0051347727e-01 -1.1860377473e+00 1.2800000000e+04 5.6882472559e-03 9.8164062500e-01
34 -4.5925266676e-01 3.4795257595e-01 -1.2650295059e+00 8.0577683915e-01 -1.2650295059e+00 1.2800000000e+04 5.6504232471e-03 9.8101562500e-01
35 -4.7252193454e-01 3.3191619441e-01 -1.2427239111e+00 7.7020197652e-01 -1.2427239111e+00 1.2800000000e+04 5.6702498779e-03 9.8062500000e-01
36 -4.5454760720e-01 4.3178300083e-01 -1.2984728939e+00 8.4392528673e-01 -1.2984728939e+00 1.2800000000e+04 5.6790666797e-03 9.8046875000e-01
37 -4.6850264016e-01 3.5198963757e-01 -1.2522029863e+00 7.8370034609e-01 -1.2522029863e+00 1.2800000000e+04 5.6739471777e-03 9.8054687500e-01
38 -4.7371326675e-01 3.3361298666e-01 -1.2249826219e+00 7.5126935511e-01 -1.2249826219e+00 1.2800000000e+04 5.6739675635e-03 9.8039062500e-01
39 -4.7991772895e-01 3.7543784070e-01 -1.1854892363e+00 7.0557150738e-01 -1.1854892363e+00 1.2800000000e+04 5.6670764111e-03 9.8296875000e-01
40 -4.6513480420e-01 3.5560927867e-01 -1.2425024506e+00 7.7736764639e-01 -1.2425024506e+00 1.2800000000e+04 5.6848444189e-03 9.8210937500e-01
41 -4.8986099175e-01 4.6220398596e-01 -1.1834367433e+00 6.9357575157e-01 -1.1834367433e+00 1.2800000000e+04 5.6803260205e-03 9.8273437500e-01
42 -4.9425105692e-01 3.8661036108e-01 -1.1517539273e+00 6.5750287039e-01 -1.1517539273e+00 1.2800000000e+04 5.6881629150e-03 9.8328125000e-01
43 -4.5706831240e-01 3.5175837664e-01 -1.2897552736e+00 8.3268696117e-01 -1.2897552736e+00 1.2800000000e+04 5.6636389600e-03 9.7835937500e-01
44 -4.5589471071e-01 3.3478979160e-01 -1.2781795586e+00 8.2228484791e-01 -1.2781795586e+00 1.2800000000e+04 5.6562534033e-03 9.8132812500e-01
45 -4.5755804529e-01 3.4413506127e-01 -1.2742378185e+00 8.1667977320e-01 -1.2742378185e+00 1.2800000000e+04 5.6792257959e-03 9.8156250000e-01
46 -4.8751773038e-01 4.5143940325e-01 -1.2054892737e+00 7.1797154332e-01 -1.2054892737e+00 1.2800000000e+04 5.6801070068e-03 9.8187500000e-01
47 -4.7906735131e-01 3.6317567586e-01 -1.2006771029e+00 7.2160975156e-01 -1.2006771029e+00 1.2800000000e+04 5.6912654590e-03 9.8414062500e-01
48 -4.7892192332e-01 4.7005183355e-01 -1.2240387774e+00 7.4511685410e-01 -1.2240387774e+00 1.2800000000e+04 5.6706382422e-03 9.8101562500e-01
49 -4.7262934079e-01 4.4748945078e-01 -1.2264121129e+00 7.5378277207e-01 -1.2264121129e+00 1.2800000000e+04 5.6558476904e-03 9.8054687500e-01
50 -4.6767262527e-01 3.6443431456e-01 -1.2483088470e+00 7.8063622175e-01 -1.2483088470e+00 1.2800000000e+04 5.6800922266e-03 9.8234375000e-01
51 -4.6636975394e-01 3.4588927458e-01 -1.2500122084e+00 7.8364245445e-01 -1.2500122084e+00 1.2800000000e+04 5.6784791602e-03 9.8156250000e-01
52 -4.7340448299e-01 3.6920080298e-01 -1.2142966052e+00 7.4089212222e-01 -1.2142966052e+00 1.2800000000e+04 5.6687273438e-03 9.8101562500e-01
53 -4.6410131386e-01 3.5576250892e-01 -1.2586031940e+00 7.9450188013e-01 -1.2586031940e+00 1.2800000000e+04 5.6734189307e-03 9.8015625000e-01
54 -4.7398522240e-01 3.4808041207e-01 -1.2182760652e+00 7.4429084278e-01 -1.2182760652e+00 1.2800000000e+04 5.6647687207e-03 9.8226562500e-01
55 -4.6973064382e-01 4.1783936359e-01 -1.2529045731e+00 7.8317392931e-01 -1.2529045731e+00 1.2800000000e+04 5.6680492139e-03 9.7953125000e-01
56 -4.8051318325e-01 3.5837054225e-01 -1.1903265534e+00 7.0981337011e-01 -1.1903265534e+00 1.2800000000e+04 5.6851897607e-03 9.8351562500e-01
57 -4.7358442645e-01 3.8882840276e-01 -1.2464222454e+00 7.7283781896e-01 -1.2464222454e+00 1.2800000000e+04 5.6729470947e-03 9.8093750000e-01
58 -4.6797251027e-01 3.5570683321e-01 -1.2420086122e+00 7.7403610190e-01 -1.2420086122e+00 1.2800000000e+04 5.6667896240e-03 9.8109375000e-01
59 -4.7336108341e-01 4.3911075089e-01 -1.2489912669e+00 7.7563018346e-01 -1.2489912669e+00 1.2800000000e+04 5.6588971387e-03 9.8085937500e-01
60 -4.7010524077e-01 3.7095203363e-01 -1.2294630398e+00 7.5935779905e-01 -1.2294630398e+00 1.2800000000e+04 5.6748272070e-03 9.8132812500e-01
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475 -4.6641570604e-01 3.5074147091e-01 -1.2575456972e+00 7.9112999112e-01 -1.2575456972e+00 1.2800000000e+04 5.6865679297e-03 9.8171875000e-01
476 -4.6849708421e-01 3.5785880080e-01 -1.2387203316e+00 7.7022324741e-01 -1.2387203316e+00 1.2800000000e+04 5.6846171045e-03 9.8187500000e-01
477 -4.5984048451e-01 3.7054970290e-01 -1.2756927086e+00 8.1585222412e-01 -1.2756927086e+00 1.2800000000e+04 5.6513149707e-03 9.7953125000e-01
478 -4.7718166843e-01 4.4264505181e-01 -1.2387030247e+00 7.6152135631e-01 -1.2387030247e+00 1.2800000000e+04 5.6885494385e-03 9.8281250000e-01
479 -4.6440202108e-01 3.5738313635e-01 -1.2470269767e+00 7.8262495562e-01 -1.2470269767e+00 1.2800000000e+04 5.6816628320e-03 9.8132812500e-01
480 -4.5996853840e-01 3.6048200018e-01 -1.2741451267e+00 8.1417658831e-01 -1.2741451267e+00 1.2800000000e+04 5.6665377832e-03 9.7796875000e-01
481 -4.7773197730e-01 5.2001879604e-01 -1.2408985038e+00 7.6316652646e-01 -1.2408985038e+00 1.2800000000e+04 5.6870339063e-03 9.8289062500e-01
482 -4.6712249724e-01 4.3940361544e-01 -1.2499211475e+00 7.8279865025e-01 -1.2499211475e+00 1.2800000000e+04 5.6644040479e-03 9.8265625000e-01
483 -4.6739691457e-01 3.6535187579e-01 -1.2450740099e+00 7.7767709536e-01 -1.2450740099e+00 1.2800000000e+04 5.6962331641e-03 9.8257812500e-01
484 -4.6727778967e-01 3.4205730031e-01 -1.2439819201e+00 7.7670413041e-01 -1.2439819201e+00 1.2800000000e+04 5.6845587451e-03 9.8242187500e-01
485 -4.7172887189e-01 3.4125566314e-01 -1.2103615865e+00 7.3863271464e-01 -1.2103615865e+00 1.2800000000e+04 5.6867163330e-03 9.8203125000e-01
486 -4.7018631481e-01 6.0276126278e-01 -1.2837246162e+00 8.1353830139e-01 -1.2837246162e+00 1.2800000000e+04 5.6631175635e-03 9.7859375000e-01
487 -4.6773644510e-01 4.0486927592e-01 -1.2432532356e+00 7.7551679048e-01 -1.2432532356e+00 1.2800000000e+04 5.6621246484e-03 9.8210937500e-01
488 -4.8036412366e-01 3.3046145261e-01 -1.1888496982e+00 7.0848557452e-01 -1.1888496982e+00 1.2800000000e+04 5.7027703662e-03 9.8492187500e-01
489 -4.7786873304e-01 4.2289682190e-01 -1.2309002936e+00 7.5303156055e-01 -1.2309002936e+00 1.2800000000e+04 5.6775705078e-03 9.8031250000e-01
490 -4.6447002980e-01 4.6178195389e-01 -1.2873731284e+00 8.2290309858e-01 -1.2873731284e+00 1.2800000000e+04 5.6785305420e-03 9.8132812500e-01
491 -4.6484662564e-01 3.3715746804e-01 -1.2391739476e+00 7.7432732192e-01 -1.2391739476e+00 1.2800000000e+04 5.6795749951e-03 9.8125000000e-01
492 -4.7195831146e-01 3.3933622545e-01 -1.2120288285e+00 7.4007051707e-01 -1.2120288285e+00 1.2800000000e+04 5.6638772852e-03 9.8156250000e-01
493 -4.8688960292e-01 5.1250894858e-01 -1.1911170885e+00 7.0422748556e-01 -1.1911170885e+00 1.2800000000e+04 5.6744347119e-03 9.7992187500e-01
494 -4.8680224364e-01 1.0110884814e+00 -1.2781234913e+00 7.9132124769e-01 -1.2781234913e+00 1.2800000000e+04 5.6659742529e-03 9.7898437500e-01
495 -4.6162704214e-01 3.6866848315e-01 -1.2971423713e+00 8.3551532920e-01 -1.2971423713e+00 1.2800000000e+04 5.6633967285e-03 9.7937500000e-01
496 -4.6981972871e-01 3.4301834873e-01 -1.2164488812e+00 7.4662915248e-01 -1.2164488812e+00 1.2800000000e+04 5.6858003516e-03 9.8375000000e-01
497 -4.7913764272e-01 3.9865868213e-01 -1.2155986592e+00 7.3646101645e-01 -1.2155986592e+00 1.2800000000e+04 5.6564003467e-03 9.8054687500e-01
498 -4.5783827726e-01 3.9034691614e-01 -1.2952001866e+00 8.3736190931e-01 -1.2952001866e+00 1.2800000000e+04 5.6801165576e-03 9.7921875000e-01
499 -4.8458227184e-01 3.5079436039e-01 -1.1631720482e+00 6.7858977632e-01 -1.1631720482e+00 1.2800000000e+04 5.6949552393e-03 9.8359375000e-01

501
labs/lab1_qmc_statistics/basis/H__exact.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -5.0000000000e-01 2.5000000000e-01 -9.6965717609e-01 4.6965717609e-01 -9.6965717609e-01 1.2800000000e+04 6.1617488574e-03 9.9046875000e-01
1 -5.0000000000e-01 2.5000000000e-01 -9.8357570138e-01 4.8357570138e-01 -9.8357570138e-01 1.2800000000e+04 6.1059252979e-03 9.8968750000e-01
2 -5.0000000000e-01 2.5000000000e-01 -1.0514965096e+00 5.5149650961e-01 -1.0514965096e+00 1.2800000000e+04 6.0712824805e-03 9.8835937500e-01
3 -5.0000000000e-01 2.5000000000e-01 -9.5379385930e-01 4.5379385930e-01 -9.5379385930e-01 1.2800000000e+04 6.0768193604e-03 9.8984375000e-01
4 -5.0000000000e-01 2.5000000000e-01 -1.0104118288e+00 5.1041182884e-01 -1.0104118288e+00 1.2800000000e+04 6.0562816895e-03 9.8914062500e-01
5 -5.0000000000e-01 2.5000000000e-01 -9.7704199029e-01 4.7704199029e-01 -9.7704199029e-01 1.2800000000e+04 6.0784579199e-03 9.8968750000e-01
6 -5.0000000000e-01 2.5000000000e-01 -9.8134948815e-01 4.8134948815e-01 -9.8134948815e-01 1.2800000000e+04 6.0744143994e-03 9.8914062500e-01
7 -5.0000000000e-01 2.5000000000e-01 -1.0518011703e+00 5.5180117027e-01 -1.0518011703e+00 1.2800000000e+04 6.0733835645e-03 9.8984375000e-01
8 -5.0000000000e-01 2.5000000000e-01 -1.0395154026e+00 5.3951540258e-01 -1.0395154026e+00 1.2800000000e+04 6.0672456689e-03 9.8812500000e-01
9 -5.0000000000e-01 2.5000000000e-01 -1.0263692695e+00 5.2636926950e-01 -1.0263692695e+00 1.2800000000e+04 6.0471694385e-03 9.8710937500e-01
10 -5.0000000000e-01 2.5000000000e-01 -9.7069278145e-01 4.7069278145e-01 -9.7069278145e-01 1.2800000000e+04 6.0830574854e-03 9.9054687500e-01
11 -5.0000000000e-01 2.5000000000e-01 -9.5516588109e-01 4.5516588109e-01 -9.5516588109e-01 1.2800000000e+04 6.0914969141e-03 9.9195312500e-01
12 -5.0000000000e-01 2.5000000000e-01 -1.0273862869e+00 5.2738628692e-01 -1.0273862869e+00 1.2800000000e+04 6.0636853564e-03 9.8882812500e-01
13 -5.0000000000e-01 2.5000000000e-01 -1.0074281612e+00 5.0742816117e-01 -1.0074281612e+00 1.2800000000e+04 6.0736076416e-03 9.8812500000e-01
14 -5.0000000000e-01 2.5000000000e-01 -9.0220144979e-01 4.0220144979e-01 -9.0220144979e-01 1.2800000000e+04 6.0590766309e-03 9.8992187500e-01
15 -5.0000000000e-01 2.5000000000e-01 -9.6952529310e-01 4.6952529310e-01 -9.6952529310e-01 1.2800000000e+04 6.0825318408e-03 9.9023437500e-01
16 -5.0000000000e-01 2.5000000000e-01 -1.0580496479e+00 5.5804964792e-01 -1.0580496479e+00 1.2800000000e+04 6.0938783350e-03 9.9070312500e-01
17 -5.0000000000e-01 2.5000000000e-01 -1.0113863086e+00 5.1138630855e-01 -1.0113863086e+00 1.2800000000e+04 6.0763300098e-03 9.8976562500e-01
18 -5.0000000000e-01 2.5000000000e-01 -9.6350250443e-01 4.6350250443e-01 -9.6350250443e-01 1.2800000000e+04 6.0817553857e-03 9.9078125000e-01
19 -5.0000000000e-01 2.5000000000e-01 -1.0045299999e+00 5.0452999994e-01 -1.0045299999e+00 1.2800000000e+04 6.0566879053e-03 9.8898437500e-01
20 -5.0000000000e-01 2.5000000000e-01 -9.9967915081e-01 4.9967915081e-01 -9.9967915081e-01 1.2800000000e+04 6.0768197656e-03 9.9039062500e-01
21 -5.0000000000e-01 2.5000000000e-01 -1.0093164669e+00 5.0931646692e-01 -1.0093164669e+00 1.2800000000e+04 6.0821458350e-03 9.9062500000e-01
22 -5.0000000000e-01 2.5000000000e-01 -1.0185492841e+00 5.1854928410e-01 -1.0185492841e+00 1.2800000000e+04 6.0801539990e-03 9.8921875000e-01
23 -5.0000000000e-01 2.5000000000e-01 -9.8770975543e-01 4.8770975543e-01 -9.8770975543e-01 1.2800000000e+04 6.0748599756e-03 9.9031250000e-01
24 -5.0000000000e-01 2.5000000000e-01 -1.0045442157e+00 5.0454421572e-01 -1.0045442157e+00 1.2800000000e+04 6.0719916943e-03 9.9171875000e-01
25 -5.0000000000e-01 2.5000000000e-01 -1.0468932025e+00 5.4689320247e-01 -1.0468932025e+00 1.2800000000e+04 6.0696513916e-03 9.8875000000e-01
26 -5.0000000000e-01 2.5000000000e-01 -1.0330980072e+00 5.3309800718e-01 -1.0330980072e+00 1.2800000000e+04 6.0805906738e-03 9.8921875000e-01
27 -5.0000000000e-01 2.5000000000e-01 -1.0079308793e+00 5.0793087928e-01 -1.0079308793e+00 1.2800000000e+04 6.0874324658e-03 9.8968750000e-01
28 -5.0000000000e-01 2.5000000000e-01 -9.5598606038e-01 4.5598606038e-01 -9.5598606038e-01 1.2800000000e+04 6.0843537939e-03 9.9031250000e-01
29 -5.0000000000e-01 2.5000000000e-01 -1.0170251831e+00 5.1702518310e-01 -1.0170251831e+00 1.2800000000e+04 6.0585926367e-03 9.8875000000e-01
30 -5.0000000000e-01 2.5000000000e-01 -9.2963939390e-01 4.2963939390e-01 -9.2963939390e-01 1.2800000000e+04 6.0854793848e-03 9.9070312500e-01
31 -5.0000000000e-01 2.5000000000e-01 -1.0554872756e+00 5.5548727561e-01 -1.0554872756e+00 1.2800000000e+04 6.0782376562e-03 9.8820312500e-01
32 -5.0000000000e-01 2.5000000000e-01 -1.0062478154e+00 5.0624781538e-01 -1.0062478154e+00 1.2800000000e+04 6.0715407031e-03 9.8921875000e-01
33 -5.0000000000e-01 2.5000000000e-01 -1.0037532409e+00 5.0375324088e-01 -1.0037532409e+00 1.2800000000e+04 6.0734078662e-03 9.8851562500e-01
34 -5.0000000000e-01 2.5000000000e-01 -9.5942453316e-01 4.5942453316e-01 -9.5942453316e-01 1.2800000000e+04 6.0651708203e-03 9.9140625000e-01
35 -5.0000000000e-01 2.5000000000e-01 -1.0060372009e+00 5.0603720093e-01 -1.0060372009e+00 1.2800000000e+04 6.0717643115e-03 9.8843750000e-01
36 -5.0000000000e-01 2.5000000000e-01 -1.0356539424e+00 5.3565394238e-01 -1.0356539424e+00 1.2800000000e+04 6.0738618555e-03 9.8820312500e-01
37 -5.0000000000e-01 2.5000000000e-01 -1.0626077218e+00 5.6260772182e-01 -1.0626077218e+00 1.2800000000e+04 6.0747464014e-03 9.8843750000e-01
38 -5.0000000000e-01 2.5000000000e-01 -1.0355199861e+00 5.3551998613e-01 -1.0355199861e+00 1.2800000000e+04 6.0725172607e-03 9.8812500000e-01
39 -5.0000000000e-01 2.5000000000e-01 -1.0338785433e+00 5.3387854331e-01 -1.0338785433e+00 1.2800000000e+04 6.0655910840e-03 9.8968750000e-01
40 -5.0000000000e-01 2.5000000000e-01 -1.0310554107e+00 5.3105541072e-01 -1.0310554107e+00 1.2800000000e+04 6.0719257861e-03 9.8984375000e-01
41 -5.0000000000e-01 2.5000000000e-01 -1.0190802040e+00 5.1908020405e-01 -1.0190802040e+00 1.2800000000e+04 6.0877216553e-03 9.9015625000e-01
42 -5.0000000000e-01 2.5000000000e-01 -9.4744608557e-01 4.4744608557e-01 -9.4744608557e-01 1.2800000000e+04 6.0900109619e-03 9.9148437500e-01
43 -5.0000000000e-01 2.5000000000e-01 -9.1231666396e-01 4.1231666396e-01 -9.1231666396e-01 1.2800000000e+04 6.0902110791e-03 9.9078125000e-01
44 -5.0000000000e-01 2.5000000000e-01 -1.0526948498e+00 5.5269484982e-01 -1.0526948498e+00 1.2800000000e+04 6.0500297461e-03 9.8765625000e-01
45 -5.0000000000e-01 2.5000000000e-01 -1.0162046804e+00 5.1620468041e-01 -1.0162046804e+00 1.2800000000e+04 6.0833842432e-03 9.9070312500e-01
46 -5.0000000000e-01 2.5000000000e-01 -1.0807626412e+00 5.8076264116e-01 -1.0807626412e+00 1.2800000000e+04 6.0824905615e-03 9.8882812500e-01
47 -5.0000000000e-01 2.5000000000e-01 -1.0282665906e+00 5.2826659064e-01 -1.0282665906e+00 1.2800000000e+04 6.0615987012e-03 9.8750000000e-01
48 -5.0000000000e-01 2.5000000000e-01 -1.0320393737e+00 5.3203937368e-01 -1.0320393737e+00 1.2800000000e+04 6.0729080762e-03 9.8890625000e-01
49 -5.0000000000e-01 2.5000000000e-01 -9.5910761908e-01 4.5910761908e-01 -9.5910761908e-01 1.2800000000e+04 6.0648123633e-03 9.9023437500e-01
50 -5.0000000000e-01 2.5000000000e-01 -9.9092802559e-01 4.9092802559e-01 -9.9092802559e-01 1.2800000000e+04 6.0769765723e-03 9.8953125000e-01
51 -5.0000000000e-01 2.5000000000e-01 -1.0368089292e+00 5.3680892923e-01 -1.0368089292e+00 1.2800000000e+04 6.0771296387e-03 9.8859375000e-01
52 -5.0000000000e-01 2.5000000000e-01 -1.0632524530e+00 5.6325245304e-01 -1.0632524530e+00 1.2800000000e+04 6.0786630811e-03 9.8882812500e-01
53 -5.0000000000e-01 2.5000000000e-01 -1.0196383114e+00 5.1963831145e-01 -1.0196383114e+00 1.2800000000e+04 6.0832364746e-03 9.8945312500e-01
54 -5.0000000000e-01 2.5000000000e-01 -1.0130338025e+00 5.1303380254e-01 -1.0130338025e+00 1.2800000000e+04 6.0697894531e-03 9.9015625000e-01
55 -5.0000000000e-01 2.5000000000e-01 -1.0513540653e+00 5.5135406529e-01 -1.0513540653e+00 1.2800000000e+04 6.0896914209e-03 9.9031250000e-01
56 -5.0000000000e-01 2.5000000000e-01 -1.0061255758e+00 5.0612557582e-01 -1.0061255758e+00 1.2800000000e+04 6.0791581689e-03 9.8960937500e-01
57 -5.0000000000e-01 2.5000000000e-01 -1.0331020569e+00 5.3310205691e-01 -1.0331020569e+00 1.2800000000e+04 6.0615334473e-03 9.8695312500e-01
58 -5.0000000000e-01 2.5000000000e-01 -9.9070466599e-01 4.9070466599e-01 -9.9070466599e-01 1.2800000000e+04 6.0736028662e-03 9.8820312500e-01
59 -5.0000000000e-01 2.5000000000e-01 -1.0068510895e+00 5.0685108948e-01 -1.0068510895e+00 1.2800000000e+04 6.0601289404e-03 9.9046875000e-01
60 -5.0000000000e-01 2.5000000000e-01 -1.0009866574e+00 5.0098665735e-01 -1.0009866574e+00 1.2800000000e+04 6.0780556934e-03 9.8960937500e-01
61 -5.0000000000e-01 2.5000000000e-01 -1.0135505978e+00 5.1355059784e-01 -1.0135505978e+00 1.2800000000e+04 6.0773663477e-03 9.8906250000e-01
62 -5.0000000000e-01 2.5000000000e-01 -1.0098831073e+00 5.0988310733e-01 -1.0098831073e+00 1.2800000000e+04 6.0704401953e-03 9.8835937500e-01
63 -5.0000000000e-01 2.5000000000e-01 -9.7656324049e-01 4.7656324049e-01 -9.7656324049e-01 1.2800000000e+04 6.0648387744e-03 9.8820312500e-01
64 -5.0000000000e-01 2.5000000000e-01 -9.4257324723e-01 4.4257324723e-01 -9.4257324723e-01 1.2800000000e+04 6.0552458203e-03 9.8968750000e-01
65 -5.0000000000e-01 2.5000000000e-01 -9.4791857069e-01 4.4791857069e-01 -9.4791857069e-01 1.2800000000e+04 6.0774265332e-03 9.8937500000e-01
66 -5.0000000000e-01 2.5000000000e-01 -1.0864948768e+00 5.8649487681e-01 -1.0864948768e+00 1.2800000000e+04 6.0608125879e-03 9.8742187500e-01
67 -5.0000000000e-01 2.5000000000e-01 -1.0164987120e+00 5.1649871196e-01 -1.0164987120e+00 1.2800000000e+04 6.0784256592e-03 9.8992187500e-01
68 -5.0000000000e-01 2.5000000000e-01 -1.0564908736e+00 5.5649087357e-01 -1.0564908736e+00 1.2800000000e+04 6.0731680713e-03 9.8882812500e-01
69 -5.0000000000e-01 2.5000000000e-01 -1.0050173800e+00 5.0501738004e-01 -1.0050173800e+00 1.2800000000e+04 6.0458335889e-03 9.8843750000e-01
70 -5.0000000000e-01 2.5000000000e-01 -9.7041495206e-01 4.7041495206e-01 -9.7041495206e-01 1.2800000000e+04 6.0831384619e-03 9.9039062500e-01
71 -5.0000000000e-01 2.5000000000e-01 -9.9872682014e-01 4.9872682014e-01 -9.9872682014e-01 1.2800000000e+04 6.0828156934e-03 9.8984375000e-01
72 -5.0000000000e-01 2.5000000000e-01 -1.0336124849e+00 5.3361248495e-01 -1.0336124849e+00 1.2800000000e+04 6.0651361621e-03 9.8882812500e-01
73 -5.0000000000e-01 2.5000000000e-01 -1.0221708416e+00 5.2217084163e-01 -1.0221708416e+00 1.2800000000e+04 6.0711481299e-03 9.8843750000e-01
74 -5.0000000000e-01 2.5000000000e-01 -9.2819092189e-01 4.2819092189e-01 -9.2819092189e-01 1.2800000000e+04 6.0724915381e-03 9.9187500000e-01
75 -5.0000000000e-01 2.5000000000e-01 -9.9230134494e-01 4.9230134494e-01 -9.9230134494e-01 1.2800000000e+04 6.0821062842e-03 9.9007812500e-01
76 -5.0000000000e-01 2.5000000000e-01 -9.8365137321e-01 4.8365137321e-01 -9.8365137321e-01 1.2800000000e+04 6.0863714844e-03 9.8945312500e-01
77 -5.0000000000e-01 2.5000000000e-01 -9.9927304015e-01 4.9927304015e-01 -9.9927304015e-01 1.2800000000e+04 6.0876236426e-03 9.9023437500e-01
78 -5.0000000000e-01 2.5000000000e-01 -1.0409995662e+00 5.4099956624e-01 -1.0409995662e+00 1.2800000000e+04 6.0646889600e-03 9.8820312500e-01
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497 -5.0000000000e-01 2.5000000000e-01 -1.0225502058e+00 5.2255020584e-01 -1.0225502058e+00 1.2800000000e+04 6.0526062744e-03 9.8812500000e-01
498 -5.0000000000e-01 2.5000000000e-01 -9.5251415571e-01 4.5251415571e-01 -9.5251415571e-01 1.2800000000e+04 6.0790603076e-03 9.8765625000e-01
499 -5.0000000000e-01 2.5000000000e-01 -9.4666189632e-01 4.4666189632e-01 -9.4666189632e-01 1.2800000000e+04 6.0927834229e-03 9.9046875000e-01

16
labs/lab1_qmc_statistics/blocking/H.dat Normal file
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@ -0,0 +1,16 @@
1 H series 0 LocalEnergy = -0.454431 +/- 0.003970 189.2
2 H series 1 LocalEnergy = -0.453352 +/- 0.004159 104.5
4 H series 2 LocalEnergy = -0.449163 +/- 0.006544 114.1
8 H series 3 LocalEnergy = -0.449491 +/- 0.014770 381.1
16 H series 4 LocalEnergy = -0.446602 +/- 0.008809 78.2
20 H series 5 LocalEnergy = -0.488375 +/- 0.006693 27.2
40 H series 6 LocalEnergy = -0.427460 +/- 0.011425 50.0
50 H series 7 LocalEnergy = -0.456044 +/- 0.014513 51.1
100 H series 8 LocalEnergy = -0.450189 +/- 0.018320 24.1
200 H series 9 LocalEnergy = -0.482306 +/- 0.028252 21.6
400 H series 10 LocalEnergy = -0.405258 +/- 0.013696 22.4
500 H series 11 LocalEnergy = -0.423111 +/- 0.003579 2.9
1000 H series 12 LocalEnergy = -0.474759 +/- 0.016879 9.6
1250 H series 13 LocalEnergy = -0.414045 +/- 0.003606 5.5
2500 H series 14 LocalEnergy = -0.432808 +/- 0.004773 3.3
5000 H series 15 LocalEnergy = -0.465723 +/- 0.004425 2.6

34
labs/lab1_qmc_statistics/blocking/H.plt Normal file
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#set terminal png size 400,300
#set output 'steps_per_block_vs_autocorrelation_energy_H_STO-2G.png'
TOP = 0.98
DY = 0.42
unset key
set multiplot
set xrange [0.5:8000]
set logscale x
#Total energy
set xlabel "Steps per block"
set yrange [-0.525:-0.375]
set tmargin at screen TOP-DY
set bmargin at screen TOP-2*DY
set ytics -0.52,0.02,-0.38
set ylabel "E_total\n(hartree)"
plot "H.dat" using 1:7:9 with errorbars
#Autocorrelation
set xtics format ''
unset xlabel
set yrange [0:200]
set tmargin at screen TOP
set bmargin at screen TOP-DY
set ytics 10,20,190
set ylabel "Autocorrelation\n(1/hartree)" offset -1
plot "H.dat" using 1:10
unset multiplot
pause -1

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# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -5.4745547900e-01 1.6632060256e+00 -1.2883657654e+00 7.4091028645e-01 -1.2883657654e+00 1.2800000000e+02 5.5829931643e-05 1.0000000000e+00
1 -5.4195836004e-01 1.3909701973e+00 -1.2950314106e+00 7.5307305051e-01 -1.2950314106e+00 1.2800000000e+02 5.8813164074e-05 1.0000000000e+00
2 -5.6192774437e-01 1.7129694844e+00 -1.3217474392e+00 7.5981969483e-01 -1.3217474392e+00 1.2800000000e+02 6.0136015609e-05 1.0000000000e+00
3 -5.5310963408e-01 1.4900531637e+00 -1.3189324032e+00 7.6582276914e-01 -1.3189324032e+00 1.2800000000e+02 6.0065561534e-05 1.0000000000e+00
4 -5.2559883195e-01 1.1283168696e+00 -1.2987012681e+00 7.7310243613e-01 -1.2987012681e+00 1.2800000000e+02 5.9946645500e-05 1.0000000000e+00
5 -5.4213346623e-01 1.6426974576e+00 -1.3233966692e+00 7.8126320297e-01 -1.3233966692e+00 1.2800000000e+02 5.9947021477e-05 1.0000000000e+00
6 -6.1595931664e-01 3.2202533985e+00 -1.3949301093e+00 7.7897079268e-01 -1.3949301093e+00 1.2800000000e+02 5.9891098648e-05 1.0000000000e+00
7 -6.7674312518e-01 4.1571092376e+00 -1.4546344033e+00 7.7789127809e-01 -1.4546344033e+00 1.2800000000e+02 5.9766269526e-05 1.0000000000e+00
8 -6.3748836738e-01 2.7502642519e+00 -1.4078092438e+00 7.7032087646e-01 -1.4078092438e+00 1.2800000000e+02 6.0220478499e-05 1.0000000000e+00
9 -6.7206446908e-01 4.3463190902e+00 -1.4449733661e+00 7.7290889703e-01 -1.4449733661e+00 1.2800000000e+02 6.0439692380e-05 1.0000000000e+00
10 -7.8429644408e-01 8.8971903227e+00 -1.5503122959e+00 7.6601585179e-01 -1.5503122959e+00 1.2800000000e+02 5.9870463879e-05 1.0000000000e+00
11 -6.5810889883e-01 3.8879639960e+00 -1.4282484756e+00 7.7013957674e-01 -1.4282484756e+00 1.2800000000e+02 6.0062163097e-05 1.0000000000e+00
12 -7.3437349885e-01 6.9419402383e+00 -1.5021135871e+00 7.6774008823e-01 -1.5021135871e+00 1.2800000000e+02 6.0416542958e-05 1.0000000000e+00
13 -5.5091731065e-01 1.6877740033e+00 -1.3159610952e+00 7.6504378455e-01 -1.3159610952e+00 1.2800000000e+02 5.9741767576e-05 1.0000000000e+00
14 -5.4951585257e-01 1.5568615492e+00 -1.3254760812e+00 7.7596022862e-01 -1.3254760812e+00 1.2800000000e+02 6.0872524411e-05 1.0000000000e+00
15 -5.2252885740e-01 1.1915872520e+00 -1.2949446568e+00 7.7241579942e-01 -1.2949446568e+00 1.2800000000e+02 6.0113662141e-05 1.0000000000e+00
16 -4.8004795306e-01 7.5504096256e-01 -1.2535090175e+00 7.7346106443e-01 -1.2535090175e+00 1.2800000000e+02 5.9989633808e-05 1.0000000000e+00
17 -5.3084798270e-01 1.8166477319e+00 -1.3022377951e+00 7.7138981236e-01 -1.3022377951e+00 1.2800000000e+02 5.9847846675e-05 1.0000000000e+00
18 -5.2709800961e-01 1.6276671837e+00 -1.2998512388e+00 7.7275322916e-01 -1.2998512388e+00 1.2800000000e+02 6.0425454109e-05 1.0000000000e+00
19 -4.6865900326e-01 6.6759421859e-01 -1.2478090139e+00 7.7915001059e-01 -1.2478090139e+00 1.2800000000e+02 5.9564604516e-05 1.0000000000e+00
20 -4.5535307361e-01 5.3234416258e-01 -1.2300036112e+00 7.7465053758e-01 -1.2300036112e+00 1.2800000000e+02 6.0213344742e-05 1.0000000000e+00
21 -4.5823869352e-01 5.0319434373e-01 -1.2358947562e+00 7.7765606269e-01 -1.2358947562e+00 1.2800000000e+02 5.9878227553e-05 1.0000000000e+00
22 -4.6730522312e-01 5.1326277255e-01 -1.2460441680e+00 7.7873894487e-01 -1.2460441680e+00 1.2800000000e+02 6.0308955092e-05 1.0000000000e+00
23 -4.7590001130e-01 4.7285957061e-01 -1.2563921144e+00 7.8049210306e-01 -1.2563921144e+00 1.2800000000e+02 6.0405537109e-05 1.0000000000e+00
24 -4.5886050364e-01 4.5200968816e-01 -1.2425106486e+00 7.8365014496e-01 -1.2425106486e+00 1.2800000000e+02 5.9923862317e-05 1.0000000000e+00
25 -4.4319857879e-01 4.0251657360e-01 -1.2336190291e+00 7.9042045027e-01 -1.2336190291e+00 1.2800000000e+02 6.0185966799e-05 1.0000000000e+00
26 -4.5134965345e-01 4.3923390830e-01 -1.2392087071e+00 7.8785905361e-01 -1.2392087071e+00 1.2800000000e+02 6.0007412127e-05 1.0000000000e+00
27 -4.7664158530e-01 5.5910204677e-01 -1.2625694863e+00 7.8592790102e-01 -1.2625694863e+00 1.2800000000e+02 6.0307211925e-05 1.0000000000e+00
28 -4.6344068937e-01 4.9192587693e-01 -1.2344851415e+00 7.7104445214e-01 -1.2344851415e+00 1.2800000000e+02 6.0638588860e-05 1.0000000000e+00
29 -4.5327736613e-01 4.4604368109e-01 -1.2291645346e+00 7.7588716849e-01 -1.2291645346e+00 1.2800000000e+02 6.0562797820e-05 1.0000000000e+00
30 -4.6052619121e-01 4.4781853569e-01 -1.2289225951e+00 7.6839640390e-01 -1.2289225951e+00 1.2800000000e+02 6.0111733386e-05 1.0000000000e+00
31 -4.4919067214e-01 4.1186021112e-01 -1.2206420107e+00 7.7145133852e-01 -1.2206420107e+00 1.2800000000e+02 6.0356957995e-05 1.0000000000e+00
32 -4.5320035351e-01 4.3956113534e-01 -1.2308001498e+00 7.7759979633e-01 -1.2308001498e+00 1.2800000000e+02 5.9976582016e-05 1.0000000000e+00
33 -4.5099905622e-01 4.3955433635e-01 -1.2297330464e+00 7.7873399017e-01 -1.2297330464e+00 1.2800000000e+02 6.0447451126e-05 1.0000000000e+00
34 -4.4373874265e-01 3.9444832460e-01 -1.2187575335e+00 7.7501879083e-01 -1.2187575335e+00 1.2800000000e+02 6.0068710933e-05 1.0000000000e+00
35 -4.5187239781e-01 4.3269815832e-01 -1.2178301590e+00 7.6595776117e-01 -1.2178301590e+00 1.2800000000e+02 6.0142807637e-05 1.0000000000e+00
36 -4.6590009392e-01 4.8848171303e-01 -1.2321360159e+00 7.6623592200e-01 -1.2321360159e+00 1.2800000000e+02 6.0365913058e-05 1.0000000000e+00
37 -4.4771864605e-01 4.3430952480e-01 -1.2040295931e+00 7.5631094708e-01 -1.2040295931e+00 1.2800000000e+02 6.0527407211e-05 1.0000000000e+00
38 -4.4117717839e-01 4.2531384376e-01 -1.1992988324e+00 7.5812165403e-01 -1.1992988324e+00 1.2800000000e+02 6.2690258812e-05 1.0000000000e+00
39 -4.3437050491e-01 4.5349523872e-01 -1.2009816026e+00 7.6661109768e-01 -1.2009816026e+00 1.2800000000e+02 6.0256381808e-05 1.0000000000e+00
40 -4.3286793534e-01 4.0422423001e-01 -1.1932217302e+00 7.6035379484e-01 -1.1932217302e+00 1.2800000000e+02 6.0102739276e-05 1.0000000000e+00
41 -4.2780533207e-01 3.9531837991e-01 -1.1789722823e+00 7.5116695023e-01 -1.1789722823e+00 1.2800000000e+02 6.0194428720e-05 1.0000000000e+00
42 -4.2139033801e-01 4.3174175442e-01 -1.1553603132e+00 7.3396997518e-01 -1.1553603132e+00 1.2800000000e+02 6.0234135752e-05 1.0000000000e+00
43 -4.1968026184e-01 3.9757009591e-01 -1.1485111627e+00 7.2883090087e-01 -1.1485111627e+00 1.2800000000e+02 5.9827509780e-05 1.0000000000e+00
44 -4.1176433634e-01 3.6372659241e-01 -1.1431485704e+00 7.3138423403e-01 -1.1431485704e+00 1.2800000000e+02 5.9568740213e-05 1.0000000000e+00
45 -4.1560975997e-01 3.6237357807e-01 -1.1473934720e+00 7.3178371200e-01 -1.1473934720e+00 1.2800000000e+02 5.9838916023e-05 1.0000000000e+00
46 -4.1958789154e-01 3.6360857450e-01 -1.1458979465e+00 7.2631005499e-01 -1.1458979465e+00 1.2800000000e+02 6.0151699223e-05 1.0000000000e+00
47 -4.1822085789e-01 3.5639062890e-01 -1.1368977589e+00 7.1867690104e-01 -1.1368977589e+00 1.2800000000e+02 6.0456523446e-05 1.0000000000e+00
48 -4.0203997170e-01 3.3578332593e-01 -1.1224052573e+00 7.2036528564e-01 -1.1224052573e+00 1.2800000000e+02 5.9915825208e-05 1.0000000000e+00
49 -4.0126355588e-01 3.4250800151e-01 -1.1127838933e+00 7.1152033742e-01 -1.1127838933e+00 1.2800000000e+02 6.0065283204e-05 1.0000000000e+00
50 -3.9112059782e-01 3.3066290210e-01 -1.1198676614e+00 7.2874706359e-01 -1.1198676614e+00 1.2800000000e+02 6.0023564462e-05 1.0000000000e+00
51 -3.9545507216e-01 3.6861937276e-01 -1.1296670954e+00 7.3421202326e-01 -1.1296670954e+00 1.2800000000e+02 7.5305654310e-05 1.0000000000e+00
52 -4.0545531091e-01 4.1773457067e-01 -1.1452843596e+00 7.3982904871e-01 -1.1452843596e+00 1.2800000000e+02 5.9749531232e-05 1.0000000000e+00
53 -4.0070205996e-01 3.5749714043e-01 -1.1473724622e+00 7.4667040220e-01 -1.1473724622e+00 1.2800000000e+02 6.0531396457e-05 1.0000000000e+00
54 -4.1170311347e-01 4.4659433716e-01 -1.1587489142e+00 7.4704580070e-01 -1.1587489142e+00 1.2800000000e+02 6.0403735329e-05 1.0000000000e+00
55 -4.1027001335e-01 3.7763833152e-01 -1.1468271006e+00 7.3655708723e-01 -1.1468271006e+00 1.2800000000e+02 6.0170014645e-05 1.0000000000e+00
56 -4.1242506810e-01 3.8255309928e-01 -1.1433334640e+00 7.3090839593e-01 -1.1433334640e+00 1.2800000000e+02 6.0631743139e-05 1.0000000000e+00
57 -4.2370420627e-01 3.8620464437e-01 -1.1453394802e+00 7.2163527396e-01 -1.1453394802e+00 1.2800000000e+02 6.0282973646e-05 1.0000000000e+00
58 -4.1608443867e-01 3.5640849118e-01 -1.1369655369e+00 7.2088109818e-01 -1.1369655369e+00 1.2800000000e+02 5.9474804676e-05 1.0000000000e+00
59 -4.1872921157e-01 3.5279578848e-01 -1.1345560254e+00 7.1582681384e-01 -1.1345560254e+00 1.2800000000e+02 6.0121162104e-05 1.0000000000e+00
60 -4.3179909417e-01 4.0360693241e-01 -1.1509113568e+00 7.1911226263e-01 -1.1509113568e+00 1.2800000000e+02 6.0039809572e-05 1.0000000000e+00
61 -4.3852894625e-01 4.2782031908e-01 -1.1490977450e+00 7.1056879874e-01 -1.1490977450e+00 1.2800000000e+02 6.0560742138e-05 1.0000000000e+00
62 -4.3997052588e-01 4.1541650945e-01 -1.1580316381e+00 7.1806111222e-01 -1.1580316381e+00 1.2800000000e+02 5.9933867181e-05 1.0000000000e+00
63 -4.4003623132e-01 4.0662847518e-01 -1.1509122993e+00 7.1087606799e-01 -1.1509122993e+00 1.2800000000e+02 6.0131562492e-05 1.0000000000e+00
64 -4.3255829522e-01 4.0094444597e-01 -1.1443869987e+00 7.1182870345e-01 -1.1443869987e+00 1.2800000000e+02 6.0160302727e-05 1.0000000000e+00
65 -4.2925831860e-01 3.8535021774e-01 -1.1534145386e+00 7.2415622004e-01 -1.1534145386e+00 1.2800000000e+02 6.0040419896e-05 1.0000000000e+00
66 -4.1582117266e-01 3.6504307273e-01 -1.1402103905e+00 7.2438921787e-01 -1.1402103905e+00 1.2800000000e+02 6.0083593748e-05 1.0000000000e+00
67 -3.9734363144e-01 3.2868361093e-01 -1.1256287453e+00 7.2828511390e-01 -1.1256287453e+00 1.2800000000e+02 5.9954077152e-05 1.0000000000e+00
68 -3.9847567881e-01 3.3045169587e-01 -1.1241068274e+00 7.2563114857e-01 -1.1241068274e+00 1.2800000000e+02 6.0324941380e-05 1.0000000000e+00
69 -4.0009944205e-01 3.2636467225e-01 -1.1081023758e+00 7.0800293371e-01 -1.1081023758e+00 1.2800000000e+02 6.0444038109e-05 1.0000000000e+00
70 -4.0552093176e-01 3.3535068325e-01 -1.1138549755e+00 7.0833404377e-01 -1.1138549755e+00 1.2800000000e+02 6.0208784181e-05 1.0000000000e+00
71 -4.0866799215e-01 3.4665804456e-01 -1.1159304469e+00 7.0726245472e-01 -1.1159304469e+00 1.2800000000e+02 6.0080092773e-05 1.0000000000e+00
72 -4.2914829615e-01 4.0763842326e-01 -1.1437418015e+00 7.1459350537e-01 -1.1437418015e+00 1.2800000000e+02 5.9988154312e-05 1.0000000000e+00
73 -4.3816145787e-01 5.0776634888e-01 -1.1693263914e+00 7.3116493353e-01 -1.1693263914e+00 1.2800000000e+02 6.0641821300e-05 1.0000000000e+00
74 -4.5951793193e-01 6.1299371904e-01 -1.1951864368e+00 7.3566850486e-01 -1.1951864368e+00 1.2800000000e+02 5.9984335930e-05 1.0000000000e+00
75 -4.5346770489e-01 6.2674761729e-01 -1.1932503204e+00 7.3978261548e-01 -1.1932503204e+00 1.2800000000e+02 6.0100312542e-05 1.0000000000e+00
76 -4.3940518228e-01 4.7833162175e-01 -1.1780526111e+00 7.3864742879e-01 -1.1780526111e+00 1.2800000000e+02 6.0515229460e-05 1.0000000000e+00
77 -4.3122010720e-01 4.7080214701e-01 -1.1677389553e+00 7.3651884812e-01 -1.1677389553e+00 1.2800000000e+02 6.0337993173e-05 1.0000000000e+00
78 -4.3759928438e-01 4.9632121169e-01 -1.1840417091e+00 7.4644242477e-01 -1.1840417091e+00 1.2800000000e+02 6.0368891585e-05 1.0000000000e+00
79 -4.4018150885e-01 5.2165854626e-01 -1.1925304699e+00 7.5234896104e-01 -1.1925304699e+00 1.2800000000e+02 5.9949340816e-05 1.0000000000e+00
80 -4.4503248163e-01 5.2044626547e-01 -1.1900919145e+00 7.4505943288e-01 -1.1900919145e+00 1.2800000000e+02 6.0014643555e-05 1.0000000000e+00
81 -4.3602255022e-01 4.5817816057e-01 -1.1809838364e+00 7.4496128619e-01 -1.1809838364e+00 1.2800000000e+02 6.0288857430e-05 1.0000000000e+00
82 -4.3173694030e-01 4.2165193439e-01 -1.1804471562e+00 7.4871021595e-01 -1.1804471562e+00 1.2800000000e+02 6.0012724596e-05 1.0000000000e+00
83 -4.3879390978e-01 4.2992792672e-01 -1.1885057532e+00 7.4971184338e-01 -1.1885057532e+00 1.2800000000e+02 6.0215434594e-05 1.0000000000e+00
84 -4.3984316124e-01 4.1983539735e-01 -1.1891513031e+00 7.4930814186e-01 -1.1891513031e+00 1.2800000000e+02 5.9729999997e-05 1.0000000000e+00
85 -4.3367478900e-01 3.9223190073e-01 -1.1865850887e+00 7.5291029971e-01 -1.1865850887e+00 1.2800000000e+02 6.0165092776e-05 1.0000000000e+00
86 -4.3294589543e-01 3.8824933268e-01 -1.1970540906e+00 7.6410819521e-01 -1.1970540906e+00 1.2800000000e+02 5.9950874014e-05 1.0000000000e+00
87 -4.2662018308e-01 3.7182565447e-01 -1.1915171679e+00 7.6489698486e-01 -1.1915171679e+00 1.2800000000e+02 6.0276601577e-05 1.0000000000e+00
88 -4.1208653728e-01 3.3977547558e-01 -1.1779935318e+00 7.6590699448e-01 -1.1779935318e+00 1.2800000000e+02 5.9807871104e-05 1.0000000000e+00
89 -4.2280927680e-01 3.6492684312e-01 -1.2007044248e+00 7.7789514804e-01 -1.2007044248e+00 1.2800000000e+02 6.0082622056e-05 1.0000000000e+00
90 -4.2519955815e-01 3.7573286586e-01 -1.2018361037e+00 7.7663654554e-01 -1.2018361037e+00 1.2800000000e+02 5.9441713884e-05 1.0000000000e+00
91 -4.3059059669e-01 3.8205145045e-01 -1.2022078639e+00 7.7161726717e-01 -1.2022078639e+00 1.2800000000e+02 6.0356088866e-05 1.0000000000e+00
92 -4.3546127185e-01 4.3409345665e-01 -1.1963763908e+00 7.6091511891e-01 -1.1963763908e+00 1.2800000000e+02 6.0282431654e-05 1.0000000000e+00
93 -4.3305582833e-01 3.8879264950e-01 -1.1841571721e+00 7.5110134372e-01 -1.1841571721e+00 1.2800000000e+02 6.0223632833e-05 1.0000000000e+00
94 -4.3271736754e-01 4.1258912805e-01 -1.1839514810e+00 7.5123411342e-01 -1.1839514810e+00 1.2800000000e+02 5.9727451156e-05 1.0000000000e+00
95 -4.3659098479e-01 4.1531646851e-01 -1.1899515036e+00 7.5336051884e-01 -1.1899515036e+00 1.2800000000e+02 5.9978559559e-05 1.0000000000e+00
96 -4.2695250297e-01 3.8536382366e-01 -1.1867736064e+00 7.5982110346e-01 -1.1867736064e+00 1.2800000000e+02 6.0207363269e-05 1.0000000000e+00
97 -4.2965689506e-01 4.0036051001e-01 -1.2025538724e+00 7.7289697735e-01 -1.2025538724e+00 1.2800000000e+02 6.0169711915e-05 1.0000000000e+00
98 -4.4431460191e-01 4.5547251293e-01 -1.2173984331e+00 7.7308383122e-01 -1.2173984331e+00 1.2800000000e+02 5.9706396481e-05 1.0000000000e+00
99 -4.4778841495e-01 4.6327056440e-01 -1.2213328737e+00 7.7354445872e-01 -1.2213328737e+00 1.2800000000e+02 6.0115751936e-05 1.0000000000e+00
100 -4.3899136897e-01 4.3282966133e-01 -1.2140608099e+00 7.7506944093e-01 -1.2140608099e+00 1.2800000000e+02 6.0374301789e-05 1.0000000000e+00
101 -4.3482694338e-01 3.9670262148e-01 -1.2065365768e+00 7.7170963344e-01 -1.2065365768e+00 1.2800000000e+02 6.0106040021e-05 1.0000000000e+00
102 -4.3024913350e-01 4.3042715226e-01 -1.2048349261e+00 7.7458579255e-01 -1.2048349261e+00 1.2800000000e+02 5.9988164058e-05 1.0000000000e+00
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423 -4.3584370629e-01 4.2339447352e-01 -1.2511297785e+00 8.1528607222e-01 -1.2511297785e+00 1.2800000000e+02 6.0286176740e-05 1.0000000000e+00
424 -4.2934232587e-01 4.4243693436e-01 -1.2423808976e+00 8.1303857171e-01 -1.2423808976e+00 1.2800000000e+02 6.0714580080e-05 1.0000000000e+00
425 -4.3576065372e-01 4.9664028497e-01 -1.2482072022e+00 8.1244654851e-01 -1.2482072022e+00 1.2800000000e+02 6.0680673840e-05 1.0000000000e+00
426 -4.2743594250e-01 4.1577249400e-01 -1.2367768325e+00 8.0934088998e-01 -1.2367768325e+00 1.2800000000e+02 7.3699868189e-05 1.0000000000e+00
427 -4.3144967920e-01 4.4127984997e-01 -1.2339731216e+00 8.0252344237e-01 -1.2339731216e+00 1.2800000000e+02 6.0033012691e-05 1.0000000000e+00
428 -4.4927435522e-01 5.3736139695e-01 -1.2522774707e+00 8.0300311548e-01 -1.2522774707e+00 1.2800000000e+02 6.0750771475e-05 1.0000000000e+00
429 -4.4234021975e-01 4.8825813432e-01 -1.2482274168e+00 8.0588719700e-01 -1.2482274168e+00 1.2800000000e+02 6.0703750002e-05 1.0000000000e+00
430 -4.4653713690e-01 4.8978283061e-01 -1.2574099917e+00 8.1087285485e-01 -1.2574099917e+00 1.2800000000e+02 6.0875634766e-05 1.0000000000e+00
431 -4.2908213809e-01 3.8844216321e-01 -1.2400138128e+00 8.1093167472e-01 -1.2400138128e+00 1.2800000000e+02 6.0712343739e-05 1.0000000000e+00
432 -4.3835309150e-01 4.5517701362e-01 -1.2571903293e+00 8.1883723777e-01 -1.2571903293e+00 1.2800000000e+02 6.0948193340e-05 1.0000000000e+00
433 -4.1961118033e-01 3.7906906873e-01 -1.2382396659e+00 8.1862848557e-01 -1.2382396659e+00 1.2800000000e+02 6.0808530300e-05 1.0000000000e+00
434 -4.1436208849e-01 3.7483944368e-01 -1.2284176285e+00 8.1405554003e-01 -1.2284176285e+00 1.2800000000e+02 6.1296650383e-05 1.0000000000e+00
435 -4.2146559257e-01 3.7864711363e-01 -1.2343198804e+00 8.1285428784e-01 -1.2343198804e+00 1.2800000000e+02 6.0909042976e-05 1.0000000000e+00
436 -4.3910691528e-01 4.1770597178e-01 -1.2552399382e+00 8.1613302287e-01 -1.2552399382e+00 1.2800000000e+02 6.0900703115e-05 1.0000000000e+00
437 -4.4827195688e-01 4.3013144588e-01 -1.2681646415e+00 8.1989268459e-01 -1.2681646415e+00 1.2800000000e+02 6.0994960943e-05 1.0000000000e+00
438 -4.4678918549e-01 4.2515672732e-01 -1.2626166820e+00 8.1582749649e-01 -1.2626166820e+00 1.2800000000e+02 6.0429374994e-05 1.0000000000e+00
439 -4.5441806479e-01 4.4332854588e-01 -1.2728775725e+00 8.1845950775e-01 -1.2728775725e+00 1.2800000000e+02 6.0588579121e-05 1.0000000000e+00
440 -4.8368192798e-01 5.5563577007e-01 -1.2869215513e+00 8.0323962333e-01 -1.2869215513e+00 1.2800000000e+02 6.0452123996e-05 1.0000000000e+00
441 -4.8412639452e-01 5.1532183516e-01 -1.2693546690e+00 7.8522827452e-01 -1.2693546690e+00 1.2800000000e+02 6.0765566396e-05 1.0000000000e+00
442 -4.9014331772e-01 5.5108403561e-01 -1.2813410567e+00 7.9119773897e-01 -1.2813410567e+00 1.2800000000e+02 6.0572255858e-05 1.0000000000e+00
443 -5.0960994707e-01 6.9492737488e-01 -1.3037140026e+00 7.9410405558e-01 -1.3037140026e+00 1.2800000000e+02 6.0791245115e-05 1.0000000000e+00
444 -4.8374249452e-01 5.8417185925e-01 -1.2778716142e+00 7.9412911965e-01 -1.2778716142e+00 1.2800000000e+02 6.0763461903e-05 1.0000000000e+00
445 -5.1514802431e-01 9.7008343675e-01 -1.2989631919e+00 7.8381516762e-01 -1.2989631919e+00 1.2800000000e+02 6.1214453112e-05 1.0000000000e+00
446 -5.0058781265e-01 7.2000729626e-01 -1.2843500489e+00 7.8376223625e-01 -1.2843500489e+00 1.2800000000e+02 6.0402456054e-05 9.9218750000e-01
447 -4.9391319786e-01 5.8733736987e-01 -1.2725749961e+00 7.7866179825e-01 -1.2725749961e+00 1.2800000000e+02 6.1068964861e-05 1.0000000000e+00
448 -4.6958002808e-01 4.3906348598e-01 -1.2468508229e+00 7.7727079479e-01 -1.2468508229e+00 1.2800000000e+02 6.0517958989e-05 1.0000000000e+00
449 -4.7002696251e-01 4.2691935412e-01 -1.2359098852e+00 7.6588292272e-01 -1.2359098852e+00 1.2800000000e+02 6.0515395486e-05 1.0000000000e+00
450 -4.5610078312e-01 3.8818037187e-01 -1.2317787401e+00 7.7567795695e-01 -1.2317787401e+00 1.2800000000e+02 6.0615253922e-05 1.0000000000e+00
451 -4.6048894214e-01 4.0289976212e-01 -1.2418910307e+00 7.8140208859e-01 -1.2418910307e+00 1.2800000000e+02 6.0127666025e-05 1.0000000000e+00
452 -4.5066490553e-01 3.9015251381e-01 -1.2289851606e+00 7.7832025504e-01 -1.2289851606e+00 1.2800000000e+02 6.0846679673e-05 1.0000000000e+00
453 -4.6315031700e-01 4.1868167214e-01 -1.2333692075e+00 7.7021889049e-01 -1.2333692075e+00 1.2800000000e+02 6.0554687487e-05 1.0000000000e+00
454 -4.8399535815e-01 5.0094272165e-01 -1.2578920346e+00 7.7389667646e-01 -1.2578920346e+00 1.2800000000e+02 6.0851254879e-05 1.0000000000e+00
455 -4.9346653112e-01 5.4112767382e-01 -1.2771641001e+00 7.8369756900e-01 -1.2771641001e+00 1.2800000000e+02 6.0977070316e-05 1.0000000000e+00
456 -4.5408666904e-01 3.9046835254e-01 -1.2263824903e+00 7.7229582125e-01 -1.2263824903e+00 1.2800000000e+02 6.0664267593e-05 1.0000000000e+00
457 -4.6488181976e-01 4.5724239021e-01 -1.2420067669e+00 7.7712494711e-01 -1.2420067669e+00 1.2800000000e+02 6.0840795889e-05 1.0000000000e+00
458 -4.5580119520e-01 4.2034051717e-01 -1.2322952649e+00 7.7649406966e-01 -1.2322952649e+00 1.2800000000e+02 6.1172148428e-05 1.0000000000e+00
459 -4.6029881089e-01 4.3545120017e-01 -1.2367400866e+00 7.7644127575e-01 -1.2367400866e+00 1.2800000000e+02 6.0694331058e-05 1.0000000000e+00
460 -4.5869698378e-01 4.5035600395e-01 -1.2374287239e+00 7.7873174014e-01 -1.2374287239e+00 1.2800000000e+02 6.0496264606e-05 1.0000000000e+00
461 -4.6090975200e-01 4.5006181139e-01 -1.2358146471e+00 7.7490489510e-01 -1.2358146471e+00 1.2800000000e+02 6.0337080082e-05 1.0000000000e+00
462 -4.5492716545e-01 4.2037576458e-01 -1.2308024582e+00 7.7587529277e-01 -1.2308024582e+00 1.2800000000e+02 6.0970991200e-05 1.0000000000e+00
463 -4.7509626419e-01 5.2545687369e-01 -1.2562553410e+00 7.8115907683e-01 -1.2562553410e+00 1.2800000000e+02 6.1113115219e-05 1.0000000000e+00
464 -4.5621321283e-01 4.2012690844e-01 -1.2269430160e+00 7.7072980317e-01 -1.2269430160e+00 1.2800000000e+02 6.0164174815e-05 1.0000000000e+00
465 -4.5087659291e-01 3.9903923463e-01 -1.2109273109e+00 7.6005071799e-01 -1.2109273109e+00 1.2800000000e+02 6.0687221701e-05 1.0000000000e+00
466 -4.5002751635e-01 4.4012557300e-01 -1.2124047501e+00 7.6237723373e-01 -1.2124047501e+00 1.2800000000e+02 6.0465136745e-05 1.0000000000e+00
467 -4.6291478784e-01 4.4430136905e-01 -1.2333062648e+00 7.7039147695e-01 -1.2333062648e+00 1.2800000000e+02 6.0356445335e-05 1.0000000000e+00
468 -4.6451452043e-01 4.9855567189e-01 -1.2330081580e+00 7.6849363754e-01 -1.2330081580e+00 1.2800000000e+02 6.0422788106e-05 1.0000000000e+00
469 -4.6739146409e-01 4.9442077824e-01 -1.2361427134e+00 7.6875124930e-01 -1.2361427134e+00 1.2800000000e+02 6.0563232438e-05 1.0000000000e+00
470 -4.7934814327e-01 6.6506926778e-01 -1.2575802718e+00 7.7823212850e-01 -1.2575802718e+00 1.2800000000e+02 6.0835039061e-05 1.0000000000e+00
471 -4.7421963893e-01 5.2867813266e-01 -1.2508982928e+00 7.7667865390e-01 -1.2508982928e+00 1.2800000000e+02 6.0732812507e-05 1.0000000000e+00
472 -4.6206380187e-01 4.9403595824e-01 -1.2471059650e+00 7.8504216316e-01 -1.2471059650e+00 1.2800000000e+02 6.0365903327e-05 1.0000000000e+00
473 -4.6657102287e-01 5.1084582997e-01 -1.2534410472e+00 7.8687002428e-01 -1.2534410472e+00 1.2800000000e+02 6.0505273439e-05 1.0000000000e+00
474 -4.4969572968e-01 4.2823835568e-01 -1.2367546205e+00 7.8705889082e-01 -1.2367546205e+00 1.2800000000e+02 5.9991103523e-05 1.0000000000e+00
475 -4.5406088327e-01 4.7552658989e-01 -1.2470147100e+00 7.9295382674e-01 -1.2470147100e+00 1.2800000000e+02 6.0169555681e-05 1.0000000000e+00
476 -4.6113593249e-01 5.3749310383e-01 -1.2547535736e+00 7.9361764112e-01 -1.2547535736e+00 1.2800000000e+02 6.0341845710e-05 1.0000000000e+00
477 -4.8325848746e-01 6.3684699030e-01 -1.2672822750e+00 7.8402378754e-01 -1.2672822750e+00 1.2800000000e+02 6.0259814440e-05 1.0000000000e+00
478 -5.0732125602e-01 8.6373627890e-01 -1.2923580912e+00 7.8503683514e-01 -1.2923580912e+00 1.2800000000e+02 6.0522783201e-05 1.0000000000e+00
479 -5.0182501725e-01 7.0146523541e-01 -1.2910453581e+00 7.8922034083e-01 -1.2910453581e+00 1.2800000000e+02 6.0147939443e-05 1.0000000000e+00
480 -5.2102675819e-01 9.0097857675e-01 -1.3100765579e+00 7.8904979968e-01 -1.3100765579e+00 1.2800000000e+02 6.0316240244e-05 1.0000000000e+00
481 -4.7719393264e-01 5.1207102553e-01 -1.2622466266e+00 7.8505269396e-01 -1.2622466266e+00 1.2800000000e+02 6.0209453132e-05 1.0000000000e+00
482 -4.8441083836e-01 5.4865413247e-01 -1.2772698075e+00 7.9285896914e-01 -1.2772698075e+00 1.2800000000e+02 6.0290058595e-05 1.0000000000e+00
483 -4.7968499590e-01 4.8319883803e-01 -1.2614348109e+00 7.8174981498e-01 -1.2614348109e+00 1.2800000000e+02 6.0633037101e-05 1.0000000000e+00
484 -4.8479126409e-01 4.6903002549e-01 -1.2558320688e+00 7.7104080467e-01 -1.2558320688e+00 1.2800000000e+02 6.0389956044e-05 1.0000000000e+00
485 -4.8710183786e-01 4.6626793142e-01 -1.2582991246e+00 7.7119728678e-01 -1.2582991246e+00 1.2800000000e+02 6.0149858420e-05 1.0000000000e+00
486 -4.7973089843e-01 4.4187269316e-01 -1.2480949415e+00 7.6836404306e-01 -1.2480949415e+00 1.2800000000e+02 6.0138007797e-05 1.0000000000e+00
487 -5.0751533851e-01 5.5781575431e-01 -1.2802597840e+00 7.7274444545e-01 -1.2802597840e+00 1.2800000000e+02 6.0576313437e-05 1.0000000000e+00
488 -5.2884927419e-01 6.2078435713e-01 -1.2968882793e+00 7.6803900512e-01 -1.2968882793e+00 1.2800000000e+02 6.0473300806e-05 1.0000000000e+00
489 -5.3260979753e-01 7.0558325921e-01 -1.2986645197e+00 7.6605472219e-01 -1.2986645197e+00 1.2800000000e+02 6.0748281232e-05 1.0000000000e+00
490 -4.7875921528e-01 4.5282494329e-01 -1.2457827925e+00 7.6702357725e-01 -1.2457827925e+00 1.2800000000e+02 6.0406777347e-05 1.0000000000e+00
491 -5.0166832871e-01 5.8251498795e-01 -1.2675413529e+00 7.6587302422e-01 -1.2675413529e+00 1.2800000000e+02 6.0642133796e-05 1.0000000000e+00
492 -4.7678902170e-01 4.7383623252e-01 -1.2506861413e+00 7.7389711963e-01 -1.2506861413e+00 1.2800000000e+02 6.0187055663e-05 1.0000000000e+00
493 -4.6438686486e-01 4.2287789981e-01 -1.2427715098e+00 7.7838464499e-01 -1.2427715098e+00 1.2800000000e+02 6.0373750006e-05 1.0000000000e+00
494 -4.6386440802e-01 4.3431097783e-01 -1.2384241394e+00 7.7455973136e-01 -1.2384241394e+00 1.2800000000e+02 6.0440600620e-05 1.0000000000e+00
495 -4.5046772226e-01 4.0907430424e-01 -1.2229385377e+00 7.7247081548e-01 -1.2229385377e+00 1.2800000000e+02 6.0769296905e-05 1.0000000000e+00
496 -4.6046797750e-01 4.2806545257e-01 -1.2363406177e+00 7.7587264022e-01 -1.2363406177e+00 1.2800000000e+02 5.9900190422e-05 1.0000000000e+00
497 -4.8095778942e-01 4.8563970028e-01 -1.2713493457e+00 7.9039155627e-01 -1.2713493457e+00 1.2800000000e+02 6.0415561514e-05 1.0000000000e+00
498 -4.8383697869e-01 4.7418690283e-01 -1.2764672399e+00 7.9263026120e-01 -1.2764672399e+00 1.2800000000e+02 6.0098085932e-05 1.0000000000e+00
499 -4.8934564785e-01 4.7885470309e-01 -1.2785830709e+00 7.8923742304e-01 -1.2785830709e+00 1.2800000000e+02 6.0681528311e-05 1.0000000000e+00

251
labs/lab1_qmc_statistics/blocking/H.s009.scalar.dat Normal file
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@ -0,0 +1,251 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.2544249460e-01 4.0491336006e-01 -1.1946752059e+00 7.6923271126e-01 -1.1946752059e+00 1.2800000000e+02 5.5577397440e-05 1.0000000000e+00
1 -4.2835804454e-01 3.9781663177e-01 -1.2003546990e+00 7.7199665441e-01 -1.2003546990e+00 1.2800000000e+02 5.9308964829e-05 1.0000000000e+00
2 -4.3409918436e-01 4.0471627049e-01 -1.2106286185e+00 7.7652943416e-01 -1.2106286185e+00 1.2800000000e+02 5.9905502937e-05 1.0000000000e+00
3 -4.2276555105e-01 3.7315382936e-01 -1.1979173654e+00 7.7515181437e-01 -1.1979173654e+00 1.2800000000e+02 5.9830527352e-05 1.0000000000e+00
4 -4.2040570253e-01 3.8576482898e-01 -1.1917200697e+00 7.7131436718e-01 -1.1917200697e+00 1.2800000000e+02 5.9580170927e-05 1.0000000000e+00
5 -4.4123026509e-01 4.2135925992e-01 -1.2133604514e+00 7.7213018634e-01 -1.2133604514e+00 1.2800000000e+02 5.9525009757e-05 1.0000000000e+00
6 -4.4194189842e-01 4.2696279350e-01 -1.2151791140e+00 7.7323721558e-01 -1.2151791140e+00 1.2800000000e+02 5.9999995145e-05 1.0000000000e+00
7 -4.3745818078e-01 4.6883931275e-01 -1.2277323784e+00 7.9027419764e-01 -1.2277323784e+00 1.2800000000e+02 5.9967250991e-05 1.0000000000e+00
8 -4.3484067626e-01 4.5007288268e-01 -1.2224249889e+00 7.8758431265e-01 -1.2224249889e+00 1.2800000000e+02 5.9817040999e-05 1.0000000000e+00
9 -4.3576842979e-01 4.3188122150e-01 -1.2397905939e+00 8.0402216411e-01 -1.2397905939e+00 1.2800000000e+02 5.9594052750e-05 1.0000000000e+00
10 -4.0732315599e-01 3.6591137619e-01 -1.2107306403e+00 8.0340748429e-01 -1.2107306403e+00 1.2800000000e+02 5.9631591807e-05 1.0000000000e+00
11 -3.8796336150e-01 3.4350861334e-01 -1.1960759244e+00 8.0811256295e-01 -1.1960759244e+00 1.2800000000e+02 5.9763168942e-05 1.0000000000e+00
12 -3.9602148219e-01 4.0834700863e-01 -1.2052333461e+00 8.0921186391e-01 -1.2052333461e+00 1.2800000000e+02 5.9428061526e-05 1.0000000000e+00
13 -3.8962585385e-01 3.5946304682e-01 -1.2020369020e+00 8.1241104814e-01 -1.2020369020e+00 1.2800000000e+02 5.9680053727e-05 1.0000000000e+00
14 -3.8035441092e-01 3.2588256818e-01 -1.1922743754e+00 8.1191996451e-01 -1.1922743754e+00 1.2800000000e+02 5.9538076204e-05 1.0000000000e+00
15 -3.6439087069e-01 3.0685482682e-01 -1.1769898250e+00 8.1259895433e-01 -1.1769898250e+00 1.2800000000e+02 6.0333266568e-05 1.0000000000e+00
16 -3.6946151672e-01 3.1238519279e-01 -1.1796396435e+00 8.1017812681e-01 -1.1796396435e+00 1.2800000000e+02 6.0010600592e-05 1.0000000000e+00
17 -3.6748776719e-01 3.1143928836e-01 -1.1779491999e+00 8.1046143273e-01 -1.1779491999e+00 1.2800000000e+02 5.9921460000e-05 1.0000000000e+00
18 -3.6198118742e-01 3.0684755041e-01 -1.1747992091e+00 8.1281802166e-01 -1.1747992091e+00 1.2800000000e+02 6.0033793954e-05 1.0000000000e+00
19 -3.6741723394e-01 3.0887080710e-01 -1.1810745222e+00 8.1365728827e-01 -1.1810745222e+00 1.2800000000e+02 5.9464985352e-05 1.0000000000e+00
20 -3.6756999567e-01 3.1113507189e-01 -1.1883997830e+00 8.2082978730e-01 -1.1883997830e+00 1.2800000000e+02 5.9804262673e-05 1.0000000000e+00
21 -3.8248586563e-01 3.4960170495e-01 -1.1945930657e+00 8.1210720010e-01 -1.1945930657e+00 1.2800000000e+02 5.9950512700e-05 1.0000000000e+00
22 -3.8746480857e-01 3.6591303725e-01 -1.2010393877e+00 8.1357457916e-01 -1.2010393877e+00 1.2800000000e+02 6.0063828123e-05 1.0000000000e+00
23 -3.8332960337e-01 3.4132498195e-01 -1.2034964359e+00 8.2016683257e-01 -1.2034964359e+00 1.2800000000e+02 5.9760195345e-05 1.0000000000e+00
24 -3.9152768716e-01 3.4188815999e-01 -1.2112418241e+00 8.1971413693e-01 -1.2112418241e+00 1.2800000000e+02 5.9504858395e-05 1.0000000000e+00
25 -3.9751037028e-01 4.2002972483e-01 -1.2274241837e+00 8.2991381347e-01 -1.2274241837e+00 1.2800000000e+02 5.9996303705e-05 1.0000000000e+00
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239 -3.7883327826e-01 3.3376855157e-01 -1.1766059089e+00 7.9777263061e-01 -1.1766059089e+00 1.2800000000e+02 6.0096152321e-05 1.0000000000e+00
240 -3.7012275047e-01 3.1504270262e-01 -1.1647260891e+00 7.9460333864e-01 -1.1647260891e+00 1.2800000000e+02 6.0060703134e-05 1.0000000000e+00
241 -3.7265085740e-01 3.1332430187e-01 -1.1616881036e+00 7.8903724615e-01 -1.1616881036e+00 1.2800000000e+02 6.0249497061e-05 1.0000000000e+00
242 -3.7631292249e-01 3.0818565787e-01 -1.1656089817e+00 7.8929605918e-01 -1.1656089817e+00 1.2800000000e+02 6.0541459966e-05 1.0000000000e+00
243 -3.6559777259e-01 2.9691165661e-01 -1.1603542049e+00 7.9475643236e-01 -1.1603542049e+00 1.2800000000e+02 6.0420820301e-05 1.0000000000e+00
244 -3.7829228708e-01 3.0642824834e-01 -1.1651424886e+00 7.8685020151e-01 -1.1651424886e+00 1.2800000000e+02 6.0153833001e-05 1.0000000000e+00
245 -3.9204978175e-01 3.1365047710e-01 -1.1811291455e+00 7.8907936375e-01 -1.1811291455e+00 1.2800000000e+02 6.0194101554e-05 1.0000000000e+00
246 -3.9254070918e-01 3.1769551497e-01 -1.1864680030e+00 7.9392729382e-01 -1.1864680030e+00 1.2800000000e+02 6.0324902339e-05 1.0000000000e+00
247 -3.8398350634e-01 3.1052021273e-01 -1.1748504195e+00 7.9086691319e-01 -1.1748504195e+00 1.2800000000e+02 6.0024746066e-05 1.0000000000e+00
248 -3.7235279670e-01 3.0302222840e-01 -1.1635570077e+00 7.9120421096e-01 -1.1635570077e+00 1.2800000000e+02 5.9902739281e-05 1.0000000000e+00
249 -3.7034319829e-01 3.0364852387e-01 -1.1575644003e+00 7.8722120197e-01 -1.1575644003e+00 1.2800000000e+02 6.0068491226e-05 1.0000000000e+00

126
labs/lab1_qmc_statistics/blocking/H.s010.scalar.dat Normal file
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@ -0,0 +1,126 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.1661367820e-01 5.2039248130e-01 -1.2018197548e+00 7.8520607660e-01 -1.2018197548e+00 1.2800000000e+02 5.5854340804e-05 1.0000000000e+00
1 -4.0542513795e-01 4.4137755626e-01 -1.1958339203e+00 7.9040878239e-01 -1.1958339203e+00 1.2800000000e+02 5.8779248040e-05 1.0000000000e+00
2 -3.9014006012e-01 3.9114804711e-01 -1.1931630095e+00 8.0302294936e-01 -1.1931630095e+00 1.2800000000e+02 6.0096450181e-05 1.0000000000e+00
3 -4.0661836388e-01 4.4463828850e-01 -1.2087892705e+00 8.0217090658e-01 -1.2087892705e+00 1.2800000000e+02 6.0837822247e-05 1.0000000000e+00
4 -4.2607902594e-01 5.7664524718e-01 -1.2231301134e+00 7.9705108742e-01 -1.2231301134e+00 1.2800000000e+02 6.0154453109e-05 1.0000000000e+00
5 -4.0733066220e-01 4.4987296088e-01 -1.2028690878e+00 7.9553842559e-01 -1.2028690878e+00 1.2800000000e+02 6.0268803715e-05 1.0000000000e+00
6 -4.0050836317e-01 3.7061385061e-01 -1.1913264919e+00 7.9081812875e-01 -1.1913264919e+00 1.2800000000e+02 5.9802363250e-05 1.0000000000e+00
7 -3.8931267630e-01 3.4003973650e-01 -1.1829072543e+00 7.9359457800e-01 -1.1829072543e+00 1.2800000000e+02 5.9911948217e-05 1.0000000000e+00
8 -4.0128563366e-01 3.7101311520e-01 -1.1989416849e+00 7.9765605128e-01 -1.1989416849e+00 1.2800000000e+02 5.9815327138e-05 1.0000000000e+00
9 -4.0467197923e-01 4.0491010355e-01 -1.2075664298e+00 8.0289445061e-01 -1.2075664298e+00 1.2800000000e+02 5.9811518550e-05 1.0000000000e+00
10 -3.9305655708e-01 3.9088084473e-01 -1.1965448633e+00 8.0348830620e-01 -1.1965448633e+00 1.2800000000e+02 6.0057958997e-05 1.0000000000e+00
11 -4.0094592315e-01 4.8339420057e-01 -1.2021192437e+00 8.0117332051e-01 -1.2021192437e+00 1.2800000000e+02 6.0441752915e-05 1.0000000000e+00
12 -4.1619157439e-01 7.4874024146e-01 -1.2186192493e+00 8.0242767491e-01 -1.2186192493e+00 1.2800000000e+02 6.0715444341e-05 1.0000000000e+00
13 -3.8346582346e-01 3.8356372011e-01 -1.1748432493e+00 7.9137742584e-01 -1.1748432493e+00 1.2800000000e+02 6.0335834945e-05 1.0000000000e+00
14 -3.7977734848e-01 3.8135519692e-01 -1.1648444412e+00 7.8506709276e-01 -1.1648444412e+00 1.2800000000e+02 5.9584394549e-05 1.0000000000e+00
15 -3.8020230608e-01 4.0648535325e-01 -1.1618120655e+00 7.8160975946e-01 -1.1618120655e+00 1.2800000000e+02 5.9894731468e-05 1.0000000000e+00
16 -3.6508666333e-01 3.1986571751e-01 -1.1515614571e+00 7.8647479373e-01 -1.1515614571e+00 1.2800000000e+02 6.0044619129e-05 1.0000000000e+00
17 -3.8621024869e-01 4.1064531864e-01 -1.1786906750e+00 7.9248042628e-01 -1.1786906750e+00 1.2800000000e+02 6.0029316405e-05 1.0000000000e+00
18 -3.8938918051e-01 4.3633434399e-01 -1.1780717038e+00 7.8868252329e-01 -1.1780717038e+00 1.2800000000e+02 5.9590766611e-05 1.0000000000e+00
19 -3.8643541553e-01 3.6509178712e-01 -1.1631927275e+00 7.7675731200e-01 -1.1631927275e+00 1.2800000000e+02 5.9875878897e-05 1.0000000000e+00
20 -3.8132642656e-01 3.1409383802e-01 -1.1595555317e+00 7.7822910511e-01 -1.1595555317e+00 1.2800000000e+02 6.0537036141e-05 1.0000000000e+00
21 -3.8399338824e-01 3.0764043668e-01 -1.1632818868e+00 7.7928849854e-01 -1.1632818868e+00 1.2800000000e+02 6.0175585936e-05 1.0000000000e+00
22 -3.7728200446e-01 2.9636330303e-01 -1.1572245319e+00 7.7994252741e-01 -1.1572245319e+00 1.2800000000e+02 5.9564174801e-05 1.0000000000e+00
23 -3.8023827450e-01 3.0534507037e-01 -1.1701529650e+00 7.8991469051e-01 -1.1701529650e+00 1.2800000000e+02 6.0172495125e-05 1.0000000000e+00
24 -3.9143208038e-01 3.1987585823e-01 -1.1798659447e+00 7.8843386428e-01 -1.1798659447e+00 1.2800000000e+02 6.0001225567e-05 1.0000000000e+00
25 -3.8332725841e-01 3.0972564102e-01 -1.1711341727e+00 7.8780691427e-01 -1.1711341727e+00 1.2800000000e+02 5.9628867188e-05 1.0000000000e+00
26 -3.8228965769e-01 3.1203049612e-01 -1.1692675149e+00 7.8697785723e-01 -1.1692675149e+00 1.2800000000e+02 6.0428247053e-05 1.0000000000e+00
27 -3.8438957193e-01 3.1723176032e-01 -1.1705492809e+00 7.8615970900e-01 -1.1705492809e+00 1.2800000000e+02 5.9652480481e-05 1.0000000000e+00
28 -3.8416464715e-01 3.3291917311e-01 -1.1868047216e+00 8.0264007446e-01 -1.1868047216e+00 1.2800000000e+02 6.0531420896e-05 1.0000000000e+00
29 -3.8010829997e-01 3.2931009784e-01 -1.1850222667e+00 8.0491396672e-01 -1.1850222667e+00 1.2800000000e+02 5.9973500957e-05 1.0000000000e+00
30 -3.9328943163e-01 3.4441425983e-01 -1.1907360718e+00 7.9744664012e-01 -1.1907360718e+00 1.2800000000e+02 5.9996249977e-05 1.0000000000e+00
31 -3.9296628950e-01 3.7010182005e-01 -1.1940509835e+00 8.0108469401e-01 -1.1940509835e+00 1.2800000000e+02 5.9767270521e-05 1.0000000000e+00
32 -3.9672566843e-01 3.9152893969e-01 -1.1937421096e+00 7.9701644115e-01 -1.1937421096e+00 1.2800000000e+02 5.9899960949e-05 1.0000000000e+00
33 -3.9077552755e-01 3.9276398214e-01 -1.1803421615e+00 7.8956663393e-01 -1.1803421615e+00 1.2800000000e+02 6.0208222649e-05 1.0000000000e+00
34 -3.8735182226e-01 3.6987252170e-01 -1.1736286807e+00 7.8627685843e-01 -1.1736286807e+00 1.2800000000e+02 5.9769985363e-05 1.0000000000e+00
35 -3.8653480975e-01 3.7164722220e-01 -1.1784782941e+00 7.9194348434e-01 -1.1784782941e+00 1.2800000000e+02 6.0078750003e-05 1.0000000000e+00
36 -3.8359184523e-01 3.5503034581e-01 -1.1682790472e+00 7.8468720199e-01 -1.1682790472e+00 1.2800000000e+02 5.9793759778e-05 1.0000000000e+00
37 -3.8291629764e-01 3.4080277768e-01 -1.1676824029e+00 7.8476610525e-01 -1.1676824029e+00 1.2800000000e+02 6.0347988253e-05 1.0000000000e+00
38 -3.9396750783e-01 3.7283481707e-01 -1.1723578319e+00 7.7839032405e-01 -1.1723578319e+00 1.2800000000e+02 6.0435034197e-05 1.0000000000e+00
39 -3.9159863077e-01 3.8111481893e-01 -1.1614141044e+00 7.6981547368e-01 -1.1614141044e+00 1.2800000000e+02 6.0154199261e-05 1.0000000000e+00
40 -3.8352597832e-01 3.5739021628e-01 -1.1446335651e+00 7.6110758680e-01 -1.1446335651e+00 1.2800000000e+02 6.0135161142e-05 1.0000000000e+00
41 -3.7316674271e-01 3.2354212320e-01 -1.1363677381e+00 7.6320099543e-01 -1.1363677381e+00 1.2800000000e+02 6.0051235351e-05 1.0000000000e+00
42 -3.7778727340e-01 3.3776907633e-01 -1.1420716750e+00 7.6428440160e-01 -1.1420716750e+00 1.2800000000e+02 5.9900332030e-05 1.0000000000e+00
43 -3.6765417648e-01 3.1640350158e-01 -1.1360600823e+00 7.6840590582e-01 -1.1360600823e+00 1.2800000000e+02 6.0553906270e-05 1.0000000000e+00
44 -3.6523812754e-01 3.1176425748e-01 -1.1399776758e+00 7.7473954830e-01 -1.1399776758e+00 1.2800000000e+02 6.0283847656e-05 1.0000000000e+00
45 -3.5926282268e-01 3.0593243502e-01 -1.1335955180e+00 7.7433269535e-01 -1.1335955180e+00 1.2800000000e+02 6.0243271488e-05 1.0000000000e+00
46 -3.5807666107e-01 3.0852372883e-01 -1.1399937013e+00 7.8191704025e-01 -1.1399937013e+00 1.2800000000e+02 5.9873676772e-05 1.0000000000e+00
47 -3.6830919354e-01 3.2346263879e-01 -1.1502179526e+00 7.8190875908e-01 -1.1502179526e+00 1.2800000000e+02 6.0246655281e-05 1.0000000000e+00
48 -3.7570840192e-01 3.5616560158e-01 -1.1466575969e+00 7.7094919503e-01 -1.1466575969e+00 1.2800000000e+02 6.0134892585e-05 1.0000000000e+00
49 -3.9550300172e-01 4.8141869108e-01 -1.1646711204e+00 7.6916811863e-01 -1.1646711204e+00 1.2800000000e+02 6.0089760737e-05 1.0000000000e+00
50 -4.1426572020e-01 5.9666689565e-01 -1.1728047924e+00 7.5853907219e-01 -1.1728047924e+00 1.2800000000e+02 6.0095410166e-05 1.0000000000e+00
51 -4.0270184711e-01 4.6717279948e-01 -1.1652982622e+00 7.6259641509e-01 -1.1652982622e+00 1.2800000000e+02 5.9866450179e-05 1.0000000000e+00
52 -4.0863917448e-01 4.6276506707e-01 -1.1720712846e+00 7.6343211007e-01 -1.1720712846e+00 1.2800000000e+02 6.0380922861e-05 1.0000000000e+00
53 -3.9600608253e-01 3.8163702716e-01 -1.1478811604e+00 7.5187507783e-01 -1.1478811604e+00 1.2800000000e+02 6.0159790056e-05 1.0000000000e+00
54 -3.9299833972e-01 3.6051529511e-01 -1.1431212405e+00 7.5012290077e-01 -1.1431212405e+00 1.2800000000e+02 5.9941245112e-05 1.0000000000e+00
55 -3.8419185721e-01 3.5632010027e-01 -1.1427479146e+00 7.5855605739e-01 -1.1427479146e+00 1.2800000000e+02 6.0699677725e-05 1.0000000000e+00
56 -3.8473364313e-01 3.4185434709e-01 -1.1348723346e+00 7.5013869152e-01 -1.1348723346e+00 1.2800000000e+02 6.0282890622e-05 1.0000000000e+00
57 -3.8403312159e-01 3.3442331221e-01 -1.1336840604e+00 7.4965093884e-01 -1.1336840604e+00 1.2800000000e+02 6.0232607428e-05 1.0000000000e+00
58 -3.8493580761e-01 3.3171733031e-01 -1.1364295987e+00 7.5149379108e-01 -1.1364295987e+00 1.2800000000e+02 5.9572309567e-05 1.0000000000e+00
59 -3.9640625788e-01 3.5436281646e-01 -1.1338394298e+00 7.3743317197e-01 -1.1338394298e+00 1.2800000000e+02 6.0037221694e-05 1.0000000000e+00
60 -4.0126859884e-01 3.4437523274e-01 -1.1198499258e+00 7.1858132698e-01 -1.1198499258e+00 1.2800000000e+02 6.0017036155e-05 1.0000000000e+00
61 -4.0447875461e-01 3.4354798930e-01 -1.1229980647e+00 7.1851931010e-01 -1.1229980647e+00 1.2800000000e+02 6.0087573239e-05 1.0000000000e+00
62 -4.0728995747e-01 3.6062730312e-01 -1.1363794309e+00 7.2908947338e-01 -1.1363794309e+00 1.2800000000e+02 5.9943842743e-05 1.0000000000e+00
63 -3.7935665195e-01 3.0649771026e-01 -1.1132748405e+00 7.3391818859e-01 -1.1132748405e+00 1.2800000000e+02 6.0284492179e-05 1.0000000000e+00
64 -3.7847559942e-01 2.9952012724e-01 -1.1061383580e+00 7.2766275863e-01 -1.1061383580e+00 1.2800000000e+02 5.9802822257e-05 1.0000000000e+00
65 -3.7452781540e-01 2.9350186480e-01 -1.1063597033e+00 7.3183188787e-01 -1.1063597033e+00 1.2800000000e+02 5.9794990225e-05 1.0000000000e+00
66 -3.8409913813e-01 2.9415826339e-01 -1.1149943871e+00 7.3089524899e-01 -1.1149943871e+00 1.2800000000e+02 6.0205527333e-05 1.0000000000e+00
67 -3.8864339435e-01 3.0317600579e-01 -1.1214399870e+00 7.3279659262e-01 -1.1214399870e+00 1.2800000000e+02 5.9890844721e-05 1.0000000000e+00
68 -3.8355914444e-01 2.9543632052e-01 -1.1285141934e+00 7.4495504892e-01 -1.1285141934e+00 1.2800000000e+02 6.0537285165e-05 1.0000000000e+00
69 -3.8000630532e-01 2.9905006198e-01 -1.1188513058e+00 7.3884500046e-01 -1.1188513058e+00 1.2800000000e+02 5.9947348632e-05 1.0000000000e+00
70 -3.9413110561e-01 3.1847814687e-01 -1.1313967668e+00 7.3726566119e-01 -1.1313967668e+00 1.2800000000e+02 6.0378652364e-05 1.0000000000e+00
71 -3.9335667451e-01 3.3493505707e-01 -1.1362936852e+00 7.4293701064e-01 -1.1362936852e+00 1.2800000000e+02 6.0637163113e-05 1.0000000000e+00
72 -4.0835848561e-01 3.8011279266e-01 -1.1517023822e+00 7.4334389660e-01 -1.1517023822e+00 1.2800000000e+02 5.9787783222e-05 1.0000000000e+00
73 -4.0109622724e-01 3.7372879538e-01 -1.1497838899e+00 7.4868766266e-01 -1.1497838899e+00 1.2800000000e+02 6.0126093729e-05 1.0000000000e+00
74 -4.1762404896e-01 4.0484710622e-01 -1.1620900516e+00 7.4446600265e-01 -1.1620900516e+00 1.2800000000e+02 6.0160805653e-05 1.0000000000e+00
75 -4.0126551182e-01 3.3987023658e-01 -1.1503261538e+00 7.4906064202e-01 -1.1503261538e+00 1.2800000000e+02 6.0276679690e-05 1.0000000000e+00
76 -4.0303665974e-01 3.6849054035e-01 -1.1709235359e+00 7.6788687617e-01 -1.1709235359e+00 1.2800000000e+02 5.9730532218e-05 1.0000000000e+00
77 -4.0685794221e-01 3.6463364525e-01 -1.1733777764e+00 7.6651983421e-01 -1.1733777764e+00 1.2800000000e+02 5.9823574212e-05 1.0000000000e+00
78 -3.9967986429e-01 3.6014507944e-01 -1.1878543836e+00 7.8817451931e-01 -1.1878543836e+00 1.2800000000e+02 5.9909990235e-05 1.0000000000e+00
79 -3.8476161913e-01 3.3605338167e-01 -1.1741795679e+00 7.8941794872e-01 -1.1741795679e+00 1.2800000000e+02 5.9383500965e-05 1.0000000000e+00
80 -3.8902766038e-01 3.2773078791e-01 -1.1826541488e+00 7.9362648839e-01 -1.1826541488e+00 1.2800000000e+02 6.0043286140e-05 1.0000000000e+00
81 -3.9164657480e-01 3.7869217136e-01 -1.1925598800e+00 8.0091330522e-01 -1.1925598800e+00 1.2800000000e+02 5.9550781256e-05 1.0000000000e+00
82 -3.8719933138e-01 3.7381851962e-01 -1.1863404090e+00 7.9914107760e-01 -1.1863404090e+00 1.2800000000e+02 5.9897348667e-05 1.0000000000e+00
83 -3.9646628328e-01 4.1061463338e-01 -1.1804096338e+00 7.8394335050e-01 -1.1804096338e+00 1.2800000000e+02 5.9823139651e-05 1.0000000000e+00
84 -4.1128387178e-01 5.1070129979e-01 -1.1973601378e+00 7.8607626606e-01 -1.1973601378e+00 1.2800000000e+02 5.9877607402e-05 1.0000000000e+00
85 -4.3139955776e-01 7.0323153459e-01 -1.2140495358e+00 7.8264997803e-01 -1.2140495358e+00 1.2800000000e+02 6.0425004868e-05 1.0000000000e+00
86 -4.3123116586e-01 6.2111886749e-01 -1.2165174251e+00 7.8528625919e-01 -1.2165174251e+00 1.2800000000e+02 5.9879682624e-05 1.0000000000e+00
87 -3.9979180980e-01 4.3663553013e-01 -1.1914807142e+00 7.9168890444e-01 -1.1914807142e+00 1.2800000000e+02 5.9820839830e-05 1.0000000000e+00
88 -4.0175012899e-01 5.1655553325e-01 -1.1901318910e+00 7.8838176199e-01 -1.1901318910e+00 1.2800000000e+02 6.0118374009e-05 1.0000000000e+00
89 -3.9847828212e-01 4.6531970555e-01 -1.1807774009e+00 7.8229911878e-01 -1.1807774009e+00 1.2800000000e+02 6.0325747064e-05 1.0000000000e+00
90 -3.7393728745e-01 3.4421422088e-01 -1.1668329169e+00 7.9289562945e-01 -1.1668329169e+00 1.2800000000e+02 5.9683178712e-05 1.0000000000e+00
91 -3.8485190443e-01 4.1618224436e-01 -1.1739455904e+00 7.8909368596e-01 -1.1739455904e+00 1.2800000000e+02 5.9722646501e-05 1.0000000000e+00
92 -3.7402366135e-01 3.4955821429e-01 -1.1696866954e+00 7.9566303401e-01 -1.1696866954e+00 1.2800000000e+02 5.9712016572e-05 1.0000000000e+00
93 -4.1860094609e-01 6.0259371261e-01 -1.2096692309e+00 7.9106828479e-01 -1.2096692309e+00 1.2800000000e+02 5.9817626948e-05 1.0000000000e+00
94 -4.1587862447e-01 5.5218043957e-01 -1.2030858044e+00 7.8720717995e-01 -1.2030858044e+00 1.2800000000e+02 5.9794291985e-05 1.0000000000e+00
95 -4.0807789625e-01 4.9761717206e-01 -1.1915312054e+00 7.8345330910e-01 -1.1915312054e+00 1.2800000000e+02 6.0023447258e-05 1.0000000000e+00
96 -4.4165688794e-01 8.5160620232e-01 -1.2285341189e+00 7.8687723091e-01 -1.2285341189e+00 1.2800000000e+02 6.0008354463e-05 1.0000000000e+00
97 -4.2301228811e-01 6.0598229274e-01 -1.2140722956e+00 7.9106000753e-01 -1.2140722956e+00 1.2800000000e+02 6.0709326167e-05 1.0000000000e+00
98 -3.9384714626e-01 4.2649739057e-01 -1.2019822752e+00 8.0813512891e-01 -1.2019822752e+00 1.2800000000e+02 7.4641284179e-05 1.0000000000e+00
99 -4.2128037616e-01 6.3205199346e-01 -1.2309894606e+00 8.0970908443e-01 -1.2309894606e+00 1.2800000000e+02 5.9681699195e-05 1.0000000000e+00
100 -4.0355890444e-01 4.9434510111e-01 -1.2211866596e+00 8.1762775514e-01 -1.2211866596e+00 1.2800000000e+02 6.0235317385e-05 1.0000000000e+00
101 -4.2781149928e-01 7.2219570007e-01 -1.2459575565e+00 8.1814605725e-01 -1.2459575565e+00 1.2800000000e+02 6.0326386734e-05 1.0000000000e+00
102 -4.2329719850e-01 6.4414012419e-01 -1.2401027180e+00 8.1680551950e-01 -1.2401027180e+00 1.2800000000e+02 5.9728818339e-05 1.0000000000e+00
103 -4.2238849557e-01 7.7188066930e-01 -1.2391953882e+00 8.1680689263e-01 -1.2391953882e+00 1.2800000000e+02 5.9666591824e-05 1.0000000000e+00
104 -4.5836369892e-01 1.4207581668e+00 -1.2701032333e+00 8.1173953435e-01 -1.2701032333e+00 1.2800000000e+02 5.9862612300e-05 1.0000000000e+00
105 -5.7574616496e-01 5.6357084694e+00 -1.3776356078e+00 8.0188944280e-01 -1.3776356078e+00 1.2800000000e+02 6.0162382827e-05 1.0000000000e+00
106 -4.4735903475e-01 1.0754576902e+00 -1.2546958355e+00 8.0733680074e-01 -1.2546958355e+00 1.2800000000e+02 5.9549028332e-05 1.0000000000e+00
107 -4.2211919578e-01 6.3459951175e-01 -1.2199992317e+00 7.9788003589e-01 -1.2199992317e+00 1.2800000000e+02 5.8932499996e-05 1.0000000000e+00
108 -4.2666646472e-01 6.1132505640e-01 -1.2239334083e+00 7.9726694360e-01 -1.2239334083e+00 1.2800000000e+02 5.9761357438e-05 1.0000000000e+00
109 -4.4277822088e-01 7.4579885532e-01 -1.2575856950e+00 8.1480747416e-01 -1.2575856950e+00 1.2800000000e+02 5.9934902342e-05 1.0000000000e+00
110 -4.5518424178e-01 7.9466820973e-01 -1.2635559994e+00 8.0837175766e-01 -1.2635559994e+00 1.2800000000e+02 5.9751606443e-05 1.0000000000e+00
111 -4.4000287697e-01 5.6050038756e-01 -1.2525440543e+00 8.1254117738e-01 -1.2525440543e+00 1.2800000000e+02 6.0281914074e-05 1.0000000000e+00
112 -4.4637753436e-01 5.2693313723e-01 -1.2664366051e+00 8.2005907079e-01 -1.2664366051e+00 1.2800000000e+02 6.0042416990e-05 1.0000000000e+00
113 -4.3527903844e-01 4.4484705535e-01 -1.2494090397e+00 8.1413000126e-01 -1.2494090397e+00 1.2800000000e+02 5.9880527356e-05 1.0000000000e+00
114 -4.3578582643e-01 4.4739996375e-01 -1.2474445181e+00 8.1165869167e-01 -1.2474445181e+00 1.2800000000e+02 5.9646845710e-05 1.0000000000e+00
115 -4.2891946380e-01 4.4490825615e-01 -1.2546819581e+00 8.2576249431e-01 -1.2546819581e+00 1.2800000000e+02 5.9968378874e-05 1.0000000000e+00
116 -4.3375996298e-01 5.2665190004e-01 -1.2590450329e+00 8.2528506989e-01 -1.2590450329e+00 1.2800000000e+02 5.9748007807e-05 1.0000000000e+00
117 -4.3064434263e-01 5.4487957098e-01 -1.2612733702e+00 8.3062902759e-01 -1.2612733702e+00 1.2800000000e+02 5.9973828119e-05 1.0000000000e+00
118 -4.6292661779e-01 7.8783492306e-01 -1.3037887133e+00 8.4086209553e-01 -1.3037887133e+00 1.2800000000e+02 6.0049643555e-05 1.0000000000e+00
119 -4.9857033246e-01 1.1937614057e+00 -1.3337053721e+00 8.3513503966e-01 -1.3337053721e+00 1.2800000000e+02 5.9712104509e-05 1.0000000000e+00
120 -4.9497253163e-01 1.0080881931e+00 -1.3320394103e+00 8.3706687870e-01 -1.3320394103e+00 1.2800000000e+02 6.0033271513e-05 1.0000000000e+00
121 -4.5783342729e-01 6.7648739457e-01 -1.2969191603e+00 8.3908573305e-01 -1.2969191603e+00 1.2800000000e+02 5.9899111335e-05 1.0000000000e+00
122 -4.7528539652e-01 1.0455743548e+00 -1.3144816229e+00 8.3919622642e-01 -1.3144816229e+00 1.2800000000e+02 6.0379160168e-05 1.0000000000e+00
123 -4.8650656399e-01 1.0620766901e+00 -1.3163706109e+00 8.2986404687e-01 -1.3163706109e+00 1.2800000000e+02 5.9628823248e-05 1.0000000000e+00
124 -5.0963209581e-01 1.4378135230e+00 -1.3428550143e+00 8.3322291846e-01 -1.3428550143e+00 1.2800000000e+02 5.9899306642e-05 1.0000000000e+00

101
labs/lab1_qmc_statistics/blocking/H.s011.scalar.dat Normal file
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@ -0,0 +1,101 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -5.0556735298e-01 1.1018387318e+00 -1.2858253393e+00 7.8025798630e-01 -1.2858253393e+00 1.2800000000e+02 5.5315449224e-05 1.0000000000e+00
1 -4.9350105050e-01 8.7194130132e-01 -1.2711448791e+00 7.7764382858e-01 -1.2711448791e+00 1.2800000000e+02 6.2251220701e-05 1.0000000000e+00
2 -4.8834218605e-01 8.1988116202e-01 -1.2683323768e+00 7.7999019080e-01 -1.2683323768e+00 1.2800000000e+02 5.9682011731e-05 1.0000000000e+00
3 -4.7016979610e-01 5.2115097911e-01 -1.2470232115e+00 7.7685341541e-01 -1.2470232115e+00 1.2800000000e+02 5.9537739244e-05 1.0000000000e+00
4 -4.4719836490e-01 4.1722130603e-01 -1.2235025419e+00 7.7630417700e-01 -1.2235025419e+00 1.2800000000e+02 6.0230844710e-05 1.0000000000e+00
5 -4.4851536647e-01 4.3089708268e-01 -1.2226856646e+00 7.7417029814e-01 -1.2226856646e+00 1.2800000000e+02 5.9820166019e-05 1.0000000000e+00
6 -4.5199603626e-01 4.6005828948e-01 -1.2285653808e+00 7.7656934449e-01 -1.2285653808e+00 1.2800000000e+02 5.9548369141e-05 1.0000000000e+00
7 -4.5056379371e-01 4.4917943841e-01 -1.2265191521e+00 7.7595535838e-01 -1.2265191521e+00 1.2800000000e+02 5.9946323276e-05 1.0000000000e+00
8 -4.4700789872e-01 4.3182003792e-01 -1.2103342080e+00 7.6332630926e-01 -1.2103342080e+00 1.2800000000e+02 6.0154990219e-05 1.0000000000e+00
9 -4.4595508711e-01 4.2845288868e-01 -1.1966387656e+00 7.5068367846e-01 -1.1966387656e+00 1.2800000000e+02 6.0103432606e-05 1.0000000000e+00
10 -4.3672510898e-01 4.2062482005e-01 -1.1906409519e+00 7.5391584291e-01 -1.1906409519e+00 1.2800000000e+02 5.9396469734e-05 1.0000000000e+00
11 -4.2700496960e-01 4.1495850852e-01 -1.1813131563e+00 7.5430818665e-01 -1.1813131563e+00 1.2800000000e+02 5.9874702114e-05 1.0000000000e+00
12 -4.3174645428e-01 4.1179234108e-01 -1.1880289898e+00 7.5628253550e-01 -1.1880289898e+00 1.2800000000e+02 5.9769213848e-05 1.0000000000e+00
13 -4.3368478656e-01 4.2708514956e-01 -1.1857395391e+00 7.5205475255e-01 -1.1857395391e+00 1.2800000000e+02 5.9609833997e-05 1.0000000000e+00
14 -4.4190971791e-01 6.2763894714e-01 -1.2099301350e+00 7.6802041705e-01 -1.2099301350e+00 1.2800000000e+02 5.9745991219e-05 1.0000000000e+00
15 -4.1745898356e-01 3.8451342371e-01 -1.1802449047e+00 7.6278592115e-01 -1.1802449047e+00 1.2800000000e+02 6.0059067373e-05 1.0000000000e+00
16 -4.2306311272e-01 3.8378763887e-01 -1.1813995843e+00 7.5833647156e-01 -1.1813995843e+00 1.2800000000e+02 6.0027333983e-05 1.0000000000e+00
17 -4.0783478777e-01 3.4688257121e-01 -1.1572512297e+00 7.4941644192e-01 -1.1572512297e+00 1.2800000000e+02 6.0086987297e-05 1.0000000000e+00
18 -4.1210730527e-01 3.7279372473e-01 -1.1626764319e+00 7.5056912662e-01 -1.1626764319e+00 1.2800000000e+02 6.0245361322e-05 1.0000000000e+00
19 -4.2923639457e-01 4.3656172777e-01 -1.1733936419e+00 7.4415724729e-01 -1.1733936419e+00 1.2800000000e+02 6.0328432610e-05 1.0000000000e+00
20 -4.3384858445e-01 4.0628870013e-01 -1.1813009789e+00 7.4745239443e-01 -1.1813009789e+00 1.2800000000e+02 5.9789096664e-05 1.0000000000e+00
21 -4.3680132034e-01 4.4127283170e-01 -1.1950941903e+00 7.5829286993e-01 -1.1950941903e+00 1.2800000000e+02 6.0336416038e-05 1.0000000000e+00
22 -4.3360062131e-01 4.2569093225e-01 -1.1866583227e+00 7.5305770139e-01 -1.1866583227e+00 1.2800000000e+02 5.9809814424e-05 1.0000000000e+00
23 -4.4264276959e-01 4.1261245824e-01 -1.2016727023e+00 7.5902993269e-01 -1.2016727023e+00 1.2800000000e+02 6.0330820279e-05 1.0000000000e+00
24 -4.3726316965e-01 3.8204246348e-01 -1.1847764761e+00 7.4751330641e-01 -1.1847764761e+00 1.2800000000e+02 6.0373930658e-05 1.0000000000e+00
25 -4.2970074904e-01 3.9344194665e-01 -1.1927334417e+00 7.6303269263e-01 -1.1927334417e+00 1.2800000000e+02 5.9727480448e-05 1.0000000000e+00
26 -4.2466215882e-01 3.7933149048e-01 -1.1780872031e+00 7.5342504428e-01 -1.1780872031e+00 1.2800000000e+02 5.9818881848e-05 1.0000000000e+00
27 -4.2302305272e-01 3.7254894847e-01 -1.1727617223e+00 7.4973866962e-01 -1.1727617223e+00 1.2800000000e+02 5.9338002956e-05 1.0000000000e+00
28 -4.2878871302e-01 4.0741618402e-01 -1.1803386298e+00 7.5154991679e-01 -1.1803386298e+00 1.2800000000e+02 6.0190439445e-05 1.0000000000e+00
29 -4.5689736176e-01 5.5013908840e-01 -1.2120057742e+00 7.5510841249e-01 -1.2120057742e+00 1.2800000000e+02 6.0070668951e-05 1.0000000000e+00
30 -4.5268733000e-01 5.3102413209e-01 -1.2111057604e+00 7.5841843039e-01 -1.2111057604e+00 1.2800000000e+02 5.9796064448e-05 1.0000000000e+00
31 -4.5690309422e-01 5.8891007469e-01 -1.2115770489e+00 7.5467395463e-01 -1.2115770489e+00 1.2800000000e+02 5.9881430662e-05 1.0000000000e+00
32 -4.5886574933e-01 5.9071634583e-01 -1.2104526110e+00 7.5158686167e-01 -1.2104526110e+00 1.2800000000e+02 6.0163042011e-05 1.0000000000e+00
33 -4.4407002131e-01 4.5268508548e-01 -1.1993337594e+00 7.5526373812e-01 -1.1993337594e+00 1.2800000000e+02 6.0394477540e-05 1.0000000000e+00
34 -4.3181693771e-01 3.8238299253e-01 -1.1903983624e+00 7.5858142473e-01 -1.1903983624e+00 1.2800000000e+02 6.0575302740e-05 1.0000000000e+00
35 -4.2895976250e-01 3.8738796096e-01 -1.1865479383e+00 7.5758817582e-01 -1.1865479383e+00 1.2800000000e+02 6.0221914076e-05 1.0000000000e+00
36 -4.3491530528e-01 4.1945072078e-01 -1.1899626568e+00 7.5504735152e-01 -1.1899626568e+00 1.2800000000e+02 6.0303398428e-05 1.0000000000e+00
37 -4.4869371083e-01 4.6437840752e-01 -1.2028737806e+00 7.5418006975e-01 -1.2028737806e+00 1.2800000000e+02 6.0184677718e-05 1.0000000000e+00
38 -4.3642974570e-01 4.0283972654e-01 -1.1724011963e+00 7.3597145058e-01 -1.1724011963e+00 1.2800000000e+02 6.0546958039e-05 1.0000000000e+00
39 -4.3185888371e-01 3.7238055291e-01 -1.1677124777e+00 7.3585359400e-01 -1.1677124777e+00 1.2800000000e+02 5.9787822249e-05 1.0000000000e+00
40 -4.4220716810e-01 4.3794929194e-01 -1.1785108426e+00 7.3630367447e-01 -1.1785108426e+00 1.2800000000e+02 6.0033222681e-05 1.0000000000e+00
41 -4.5704582363e-01 5.4727755443e-01 -1.1917018931e+00 7.3465606951e-01 -1.1917018931e+00 1.2800000000e+02 5.9637407215e-05 1.0000000000e+00
42 -4.4499186679e-01 4.7068016977e-01 -1.1833326570e+00 7.3834079023e-01 -1.1833326570e+00 1.2800000000e+02 5.9800903323e-05 1.0000000000e+00
43 -4.7043225269e-01 7.0592166087e-01 -1.2040054669e+00 7.3357321425e-01 -1.2040054669e+00 1.2800000000e+02 5.9997207028e-05 1.0000000000e+00
44 -5.1067940713e-01 1.2509686555e+00 -1.2416903086e+00 7.3101090144e-01 -1.2416903086e+00 1.2800000000e+02 6.0119960935e-05 1.0000000000e+00
45 -5.2508447667e-01 1.4093625141e+00 -1.2617659861e+00 7.3668150947e-01 -1.2617659861e+00 1.2800000000e+02 6.0332915037e-05 1.0000000000e+00
46 -4.9056874242e-01 9.1468979964e-01 -1.2364791888e+00 7.4591044641e-01 -1.2364791888e+00 1.2800000000e+02 5.9922631849e-05 1.0000000000e+00
47 -4.6064268415e-01 5.5395956075e-01 -1.2076963061e+00 7.4705362193e-01 -1.2076963061e+00 1.2800000000e+02 5.9879306608e-05 1.0000000000e+00
48 -4.8021147814e-01 6.9317136074e-01 -1.2189131460e+00 7.3870166786e-01 -1.2189131460e+00 1.2800000000e+02 6.0015610359e-05 1.0000000000e+00
49 -4.7622551952e-01 6.8487228995e-01 -1.2129976527e+00 7.3677213318e-01 -1.2129976527e+00 1.2800000000e+02 6.0285371106e-05 1.0000000000e+00
50 -4.9401622982e-01 8.1594199113e-01 -1.2369499711e+00 7.4293374131e-01 -1.2369499711e+00 1.2800000000e+02 6.0287490218e-05 1.0000000000e+00
51 -4.6780948921e-01 6.2706395461e-01 -1.2120970986e+00 7.4428760938e-01 -1.2120970986e+00 1.2800000000e+02 5.9422841804e-05 1.0000000000e+00
52 -4.3937275512e-01 4.4651454792e-01 -1.1902342160e+00 7.5086146091e-01 -1.1902342160e+00 1.2800000000e+02 5.9721313477e-05 1.0000000000e+00
53 -4.3187556347e-01 4.1934179107e-01 -1.1797770862e+00 7.4790152270e-01 -1.1797770862e+00 1.2800000000e+02 5.9843896469e-05 1.0000000000e+00
54 -4.3220406083e-01 4.0667346272e-01 -1.1821239906e+00 7.4991992975e-01 -1.1821239906e+00 1.2800000000e+02 5.9833051758e-05 1.0000000000e+00
55 -4.5849915918e-01 4.8403105603e-01 -1.2188718947e+00 7.6037273551e-01 -1.2188718947e+00 1.2800000000e+02 6.0134248017e-05 1.0000000000e+00
56 -4.3725318716e-01 4.3410501732e-01 -1.1934344577e+00 7.5618127058e-01 -1.1934344577e+00 1.2800000000e+02 6.0561201160e-05 1.0000000000e+00
57 -4.4444710475e-01 4.3991340049e-01 -1.1970055581e+00 7.5255845339e-01 -1.1970055581e+00 1.2800000000e+02 6.0235493144e-05 1.0000000000e+00
58 -4.5100235461e-01 4.4700535175e-01 -1.1997374330e+00 7.4873507840e-01 -1.1997374330e+00 1.2800000000e+02 6.0554155255e-05 1.0000000000e+00
59 -4.5149335718e-01 4.4174306945e-01 -1.1975189752e+00 7.4602561802e-01 -1.1975189752e+00 1.2800000000e+02 6.0204184589e-05 1.0000000000e+00
60 -4.9096324270e-01 7.8398891243e-01 -1.2271703622e+00 7.3620711949e-01 -1.2271703622e+00 1.2800000000e+02 6.0228525378e-05 1.0000000000e+00
61 -4.5389823260e-01 4.6491002926e-01 -1.1794950015e+00 7.2559676892e-01 -1.1794950015e+00 1.2800000000e+02 5.9998852535e-05 1.0000000000e+00
62 -4.5650684528e-01 4.6764368606e-01 -1.1922739810e+00 7.3576713568e-01 -1.1922739810e+00 1.2800000000e+02 6.0249101548e-05 1.0000000000e+00
63 -4.5041543321e-01 4.4526122718e-01 -1.1926063690e+00 7.4219093581e-01 -1.1926063690e+00 1.2800000000e+02 6.0154531248e-05 1.0000000000e+00
64 -4.5328642324e-01 4.3773067299e-01 -1.1975675837e+00 7.4428116044e-01 -1.1975675837e+00 1.2800000000e+02 6.0284912117e-05 1.0000000000e+00
65 -4.5887571867e-01 4.6299935322e-01 -1.2068205565e+00 7.4794483783e-01 -1.2068205565e+00 1.2800000000e+02 6.0425361347e-05 1.0000000000e+00
66 -4.4434284215e-01 4.1883718007e-01 -1.1898275388e+00 7.4548469660e-01 -1.1898275388e+00 1.2800000000e+02 6.0059868176e-05 1.0000000000e+00
67 -4.4380838484e-01 4.1018024729e-01 -1.1908517859e+00 7.4704340107e-01 -1.1908517859e+00 1.2800000000e+02 6.0087275386e-05 1.0000000000e+00
68 -4.5200136872e-01 4.3851445447e-01 -1.2037871609e+00 7.5178579223e-01 -1.2037871609e+00 1.2800000000e+02 5.9752968731e-05 1.0000000000e+00
69 -4.5380924901e-01 4.9926460061e-01 -1.2076858012e+00 7.5387655216e-01 -1.2076858012e+00 1.2800000000e+02 5.9949570296e-05 1.0000000000e+00
70 -4.4083080927e-01 4.7418654229e-01 -1.1900788267e+00 7.4924801747e-01 -1.1900788267e+00 1.2800000000e+02 5.9872998058e-05 1.0000000000e+00
71 -4.3933631955e-01 5.2117125752e-01 -1.1935283013e+00 7.5419198171e-01 -1.1935283013e+00 1.2800000000e+02 6.0018618164e-05 1.0000000000e+00
72 -4.2101708007e-01 3.9998528226e-01 -1.1777236098e+00 7.5670652969e-01 -1.1777236098e+00 1.2800000000e+02 5.9627080095e-05 1.0000000000e+00
73 -4.2362441768e-01 4.1684095403e-01 -1.1907243407e+00 7.6709992299e-01 -1.1907243407e+00 1.2800000000e+02 6.0013349604e-05 1.0000000000e+00
74 -4.3074938561e-01 4.0756032553e-01 -1.1978247156e+00 7.6707532999e-01 -1.1978247156e+00 1.2800000000e+02 5.9942397435e-05 1.0000000000e+00
75 -4.3365096152e-01 4.1726263562e-01 -1.2047974231e+00 7.7114646157e-01 -1.2047974231e+00 1.2800000000e+02 5.9350815423e-05 1.0000000000e+00
76 -4.2930636574e-01 4.3335013048e-01 -1.1999357124e+00 7.7062934668e-01 -1.1999357124e+00 1.2800000000e+02 5.9668022459e-05 1.0000000000e+00
77 -4.2018523194e-01 3.9478615529e-01 -1.1939438555e+00 7.7375862359e-01 -1.1939438555e+00 1.2800000000e+02 5.9579365232e-05 1.0000000000e+00
78 -4.2466976408e-01 3.9211132074e-01 -1.1990805670e+00 7.7441080289e-01 -1.1990805670e+00 1.2800000000e+02 5.9565654297e-05 1.0000000000e+00
79 -4.1401283387e-01 3.6818228643e-01 -1.1991793435e+00 7.8516650959e-01 -1.1991793435e+00 1.2800000000e+02 5.9909946277e-05 1.0000000000e+00
80 -4.2673705939e-01 4.1534333303e-01 -1.2180695254e+00 7.9133246599e-01 -1.2180695254e+00 1.2800000000e+02 6.0168583985e-05 1.0000000000e+00
81 -4.3719276618e-01 4.2974942493e-01 -1.2261607479e+00 7.8896798171e-01 -1.2261607479e+00 1.2800000000e+02 6.0215034210e-05 1.0000000000e+00
82 -4.1830105606e-01 3.7333536172e-01 -1.2089495572e+00 7.9064850115e-01 -1.2089495572e+00 1.2800000000e+02 6.0178833007e-05 1.0000000000e+00
83 -4.1789931252e-01 3.7997884192e-01 -1.1974051024e+00 7.7950578990e-01 -1.1974051024e+00 1.2800000000e+02 5.9308134755e-05 1.0000000000e+00
84 -4.2965429343e-01 4.2240886963e-01 -1.2019141963e+00 7.7225990291e-01 -1.2019141963e+00 1.2800000000e+02 6.0160649387e-05 1.0000000000e+00
85 -4.1915265234e-01 3.7888046399e-01 -1.1817779455e+00 7.6262529319e-01 -1.1817779455e+00 1.2800000000e+02 5.9664375012e-05 1.0000000000e+00
86 -4.2350989870e-01 4.1380078080e-01 -1.1845840496e+00 7.6107415090e-01 -1.1845840496e+00 1.2800000000e+02 5.9773959983e-05 1.0000000000e+00
87 -4.3638798281e-01 4.7546646958e-01 -1.1967298130e+00 7.6034183016e-01 -1.1967298130e+00 1.2800000000e+02 5.9999580085e-05 1.0000000000e+00
88 -4.3448841622e-01 4.8815543446e-01 -1.2064108328e+00 7.7192241659e-01 -1.2064108328e+00 1.2800000000e+02 5.9876933602e-05 1.0000000000e+00
89 -4.3388266276e-01 4.9638758753e-01 -1.2104888213e+00 7.7660615858e-01 -1.2104888213e+00 1.2800000000e+02 5.9747456056e-05 1.0000000000e+00
90 -4.3578279364e-01 5.8154412979e-01 -1.2126772919e+00 7.7689449824e-01 -1.2126772919e+00 1.2800000000e+02 5.9897919954e-05 1.0000000000e+00
91 -4.3322787956e-01 5.2163794118e-01 -1.2111601413e+00 7.7793226174e-01 -1.2111601413e+00 1.2800000000e+02 6.0167485312e-05 1.0000000000e+00
92 -4.1797532070e-01 4.3799081413e-01 -1.1886355488e+00 7.7066022814e-01 -1.1886355488e+00 1.2800000000e+02 5.9530971669e-05 1.0000000000e+00
93 -4.1975948263e-01 4.1927973586e-01 -1.1845206509e+00 7.6476116831e-01 -1.1845206509e+00 1.2800000000e+02 5.9721806618e-05 1.0000000000e+00
94 -4.2000234011e-01 4.0715875909e-01 -1.1834264302e+00 7.6342409004e-01 -1.1834264302e+00 1.2800000000e+02 5.9798481438e-05 1.0000000000e+00
95 -4.2335276251e-01 4.0141116335e-01 -1.1801716772e+00 7.5681891471e-01 -1.1801716772e+00 1.2800000000e+02 5.9833657215e-05 1.0000000000e+00
96 -4.1898997018e-01 3.9067390307e-01 -1.1727705831e+00 7.5378061297e-01 -1.1727705831e+00 1.2800000000e+02 5.9501303713e-05 1.0000000000e+00
97 -4.1687289558e-01 3.7457400979e-01 -1.1755110069e+00 7.5863811132e-01 -1.1755110069e+00 1.2800000000e+02 6.0436523430e-05 1.0000000000e+00
98 -4.0532856902e-01 3.4105386687e-01 -1.1612703095e+00 7.5594174050e-01 -1.1612703095e+00 1.2800000000e+02 5.9734477553e-05 1.0000000000e+00
99 -4.0281473938e-01 3.4126184265e-01 -1.1623330501e+00 7.5951831073e-01 -1.1623330501e+00 1.2800000000e+02 5.9957939431e-05 1.0000000000e+00

51
labs/lab1_qmc_statistics/blocking/H.s012.scalar.dat Normal file
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@ -0,0 +1,51 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -5.3159186335e-01 8.8205586393e-01 -1.2277944397e+00 6.9620257633e-01 -1.2277944397e+00 1.2800000000e+02 5.4781904321e-05 1.0000000000e+00
1 -5.2288149758e-01 7.5589238257e-01 -1.2174082203e+00 6.9452672271e-01 -1.2174082203e+00 1.2800000000e+02 5.8617636718e-05 1.0000000000e+00
2 -5.3148232287e-01 7.8114044538e-01 -1.2279661206e+00 6.9648379775e-01 -1.2279661206e+00 1.2800000000e+02 5.9704428693e-05 1.0000000000e+00
3 -5.0575157830e-01 6.6041204164e-01 -1.2021364696e+00 6.9638489129e-01 -1.2021364696e+00 1.2800000000e+02 5.9950185527e-05 1.0000000000e+00
4 -5.0715821051e-01 6.4717847660e-01 -1.2004414239e+00 6.9328321342e-01 -1.2004414239e+00 1.2800000000e+02 5.9882255858e-05 1.0000000000e+00
5 -4.9682107726e-01 5.9540244979e-01 -1.1844095768e+00 6.8758849950e-01 -1.1844095768e+00 1.2800000000e+02 5.9493378913e-05 1.0000000000e+00
6 -5.1057939455e-01 9.0873048226e-01 -1.2118127760e+00 7.0123338143e-01 -1.2118127760e+00 1.2800000000e+02 5.9790751973e-05 1.0000000000e+00
7 -5.0309908558e-01 8.5424073949e-01 -1.2112148698e+00 7.0811578422e-01 -1.2112148698e+00 1.2800000000e+02 5.9919941428e-05 1.0000000000e+00
8 -4.7851988991e-01 5.5566218446e-01 -1.1880125701e+00 7.0949268021e-01 -1.1880125701e+00 1.2800000000e+02 5.9861757812e-05 1.0000000000e+00
9 -4.9051535373e-01 6.4903637152e-01 -1.1948808330e+00 7.0436547927e-01 -1.1948808330e+00 1.2800000000e+02 5.9871957987e-05 1.0000000000e+00
10 -4.5787466663e-01 3.9288326735e-01 -1.1643690142e+00 7.0649434756e-01 -1.1643690142e+00 1.2800000000e+02 5.9455195323e-05 1.0000000000e+00
11 -4.6781616072e-01 5.1946847858e-01 -1.1683082942e+00 7.0049213348e-01 -1.1683082942e+00 1.2800000000e+02 5.9526333008e-05 1.0000000000e+00
12 -4.9423521393e-01 8.3282492949e-01 -1.1959328867e+00 7.0169767272e-01 -1.1959328867e+00 1.2800000000e+02 5.9324931630e-05 1.0000000000e+00
13 -4.9642454013e-01 8.0238436230e-01 -1.2027178051e+00 7.0629326502e-01 -1.2027178051e+00 1.2800000000e+02 6.0222509770e-05 1.0000000000e+00
14 -4.7661580300e-01 5.9121498032e-01 -1.1887434768e+00 7.1212767376e-01 -1.1887434768e+00 1.2800000000e+02 5.9481889650e-05 1.0000000000e+00
15 -4.6794190748e-01 4.5526547948e-01 -1.1807212592e+00 7.1277935173e-01 -1.1807212592e+00 1.2800000000e+02 6.0018041982e-05 1.0000000000e+00
16 -4.6630923556e-01 4.8130238640e-01 -1.1921918072e+00 7.2588257163e-01 -1.1921918072e+00 1.2800000000e+02 6.0108227519e-05 1.0000000000e+00
17 -4.7353638380e-01 5.3693406810e-01 -1.2045553530e+00 7.3101896918e-01 -1.2045553530e+00 1.2800000000e+02 5.9686181626e-05 1.0000000000e+00
18 -5.0337804196e-01 6.7616984468e-01 -1.2260469624e+00 7.2266892046e-01 -1.2260469624e+00 1.2800000000e+02 5.9627055656e-05 1.0000000000e+00
19 -5.3107662888e-01 1.2323136607e+00 -1.2471613941e+00 7.1608476524e-01 -1.2471613941e+00 1.2800000000e+02 5.9981245101e-05 1.0000000000e+00
20 -4.8688783671e-01 5.9567758208e-01 -1.2034674081e+00 7.1657957138e-01 -1.2034674081e+00 1.2800000000e+02 6.0100361342e-05 1.0000000000e+00
21 -4.9018656627e-01 6.6560618117e-01 -1.2004292922e+00 7.1024272597e-01 -1.2004292922e+00 1.2800000000e+02 6.1183535170e-05 1.0000000000e+00
22 -5.4761376428e-01 1.6082658030e+00 -1.2559575530e+00 7.0834378870e-01 -1.2559575530e+00 1.2800000000e+02 1.5422666993e-04 1.0000000000e+00
23 -5.9259440267e-01 3.2027860656e+00 -1.3012761259e+00 7.0868172319e-01 -1.3012761259e+00 1.2800000000e+02 5.9627734412e-05 1.0000000000e+00
24 -4.8341655033e-01 6.2347380103e-01 -1.1975650224e+00 7.1414847206e-01 -1.1975650224e+00 1.2800000000e+02 5.9951455064e-05 1.0000000000e+00
25 -4.9602032930e-01 6.8208940713e-01 -1.2129690220e+00 7.1694869270e-01 -1.2129690220e+00 1.2800000000e+02 6.0091313468e-05 1.0000000000e+00
26 -4.7091556154e-01 5.2141202940e-01 -1.1952425194e+00 7.2432695786e-01 -1.1952425194e+00 1.2800000000e+02 5.9559218766e-05 1.0000000000e+00
27 -4.8672876377e-01 7.6400110980e-01 -1.2193119154e+00 7.3258315165e-01 -1.2193119154e+00 1.2800000000e+02 5.9812207031e-05 1.0000000000e+00
28 -4.6986660665e-01 6.0723566001e-01 -1.2063823347e+00 7.3651572810e-01 -1.2063823347e+00 1.2800000000e+02 5.9910561543e-05 1.0000000000e+00
29 -5.2726939297e-01 1.9394724277e+00 -1.2666443825e+00 7.3937498950e-01 -1.2666443825e+00 1.2800000000e+02 6.0063725599e-05 1.0000000000e+00
30 -4.5913869726e-01 6.4471352851e-01 -1.1998188014e+00 7.4068010410e-01 -1.1998188014e+00 1.2800000000e+02 6.0208295896e-05 1.0000000000e+00
31 -4.4259354953e-01 4.9930187301e-01 -1.1760670466e+00 7.3347349708e-01 -1.1760670466e+00 1.2800000000e+02 5.9693798832e-05 1.0000000000e+00
32 -4.5125735650e-01 5.9950379732e-01 -1.1728060091e+00 7.2154865265e-01 -1.1728060091e+00 1.2800000000e+02 5.9896621110e-05 1.0000000000e+00
33 -4.9454794550e-01 1.3513399178e+00 -1.2120785138e+00 7.1753056830e-01 -1.2120785138e+00 1.2800000000e+02 5.9629184591e-05 1.0000000000e+00
34 -4.3566671557e-01 4.6359082305e-01 -1.1582856644e+00 7.2261894887e-01 -1.1582856644e+00 1.2800000000e+02 5.9819687497e-05 1.0000000000e+00
35 -4.5063584767e-01 5.3975835365e-01 -1.1729505823e+00 7.2231473462e-01 -1.1729505823e+00 1.2800000000e+02 5.9729199180e-05 1.0000000000e+00
36 -4.4213451711e-01 4.6192913867e-01 -1.1606794795e+00 7.1854496236e-01 -1.1606794795e+00 1.2800000000e+02 6.0139345706e-05 1.0000000000e+00
37 -4.3197204799e-01 4.3272112424e-01 -1.1682359384e+00 7.3626389038e-01 -1.1682359384e+00 1.2800000000e+02 6.0318608412e-05 1.0000000000e+00
38 -4.3549559109e-01 4.2008606043e-01 -1.1746563374e+00 7.3916074628e-01 -1.1746563374e+00 1.2800000000e+02 6.0202309584e-05 1.0000000000e+00
39 -4.4063505656e-01 5.7548765930e-01 -1.1891459790e+00 7.4851092243e-01 -1.1891459790e+00 1.2800000000e+02 6.0390268541e-05 1.0000000000e+00
40 -4.2737845409e-01 3.9852526433e-01 -1.1752294103e+00 7.4785095625e-01 -1.1752294103e+00 1.2800000000e+02 5.9256201155e-05 1.0000000000e+00
41 -4.1893670984e-01 3.5491254824e-01 -1.1674932936e+00 7.4855658380e-01 -1.1674932936e+00 1.2800000000e+02 5.9598242174e-05 1.0000000000e+00
42 -4.2418134797e-01 3.7987960701e-01 -1.1726564637e+00 7.4847511573e-01 -1.1726564637e+00 1.2800000000e+02 5.9612788061e-05 1.0000000000e+00
43 -4.3546358754e-01 4.2583531530e-01 -1.1894887525e+00 7.5402516500e-01 -1.1894887525e+00 1.2800000000e+02 5.9714829110e-05 1.0000000000e+00
44 -4.5177097838e-01 5.0526465776e-01 -1.2042215826e+00 7.5245060426e-01 -1.2042215826e+00 1.2800000000e+02 5.9760053738e-05 1.0000000000e+00
45 -4.4090444447e-01 4.0051791447e-01 -1.1882668506e+00 7.4736240615e-01 -1.1882668506e+00 1.2800000000e+02 8.9085341823e-05 1.0000000000e+00
46 -4.2987758691e-01 3.8855333624e-01 -1.1841711286e+00 7.5429354169e-01 -1.1841711286e+00 1.2800000000e+02 5.8994540996e-05 1.0000000000e+00
47 -4.2094538983e-01 3.6140512063e-01 -1.1765150969e+00 7.5556970705e-01 -1.1765150969e+00 1.2800000000e+02 5.9880615233e-05 1.0000000000e+00
48 -4.2069208798e-01 3.5597028765e-01 -1.1723901595e+00 7.5169807148e-01 -1.1723901595e+00 1.2800000000e+02 5.9750122062e-05 1.0000000000e+00
49 -4.1862271489e-01 3.4548397292e-01 -1.1749805797e+00 7.5635786481e-01 -1.1749805797e+00 1.2800000000e+02 5.9810683595e-05 1.0000000000e+00

41
labs/lab1_qmc_statistics/blocking/H.s013.scalar.dat Normal file
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@ -0,0 +1,41 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.1193324489e-01 3.3547274181e-01 -1.1479191917e+00 7.3598594678e-01 -1.1479191917e+00 1.2800000000e+02 5.5901611336e-05 1.0000000000e+00
1 -4.1298926055e-01 3.3353707620e-01 -1.1427367196e+00 7.2974745904e-01 -1.1427367196e+00 1.2800000000e+02 5.9033740261e-05 1.0000000000e+00
2 -4.2270581094e-01 3.3965071435e-01 -1.1394947929e+00 7.1678898198e-01 -1.1394947929e+00 1.2800000000e+02 6.0011127914e-05 1.0000000000e+00
3 -4.1947477261e-01 3.3855215492e-01 -1.1309543639e+00 7.1147959131e-01 -1.1309543639e+00 1.2800000000e+02 5.9880605477e-05 1.0000000000e+00
4 -4.1340181783e-01 3.2553504532e-01 -1.1250460177e+00 7.1164419990e-01 -1.1250460177e+00 1.2800000000e+02 5.9742763661e-05 1.0000000000e+00
5 -4.1396290893e-01 3.2219893793e-01 -1.1219809444e+00 7.0801803548e-01 -1.1219809444e+00 1.2800000000e+02 6.0226894515e-05 1.0000000000e+00
6 -4.0958641597e-01 3.1427917476e-01 -1.1251588473e+00 7.1557243131e-01 -1.1251588473e+00 1.2800000000e+02 5.9992075190e-05 1.0000000000e+00
7 -4.0352048053e-01 3.1561032838e-01 -1.1296179233e+00 7.2609744277e-01 -1.1296179233e+00 1.2800000000e+02 5.9943125020e-05 1.0000000000e+00
8 -4.1715936579e-01 3.4563676599e-01 -1.1518088779e+00 7.3464951211e-01 -1.1518088779e+00 1.2800000000e+02 5.9755771485e-05 1.0000000000e+00
9 -4.0520965040e-01 3.1472698229e-01 -1.1400429183e+00 7.3483326787e-01 -1.1400429183e+00 1.2800000000e+02 5.9721962874e-05 1.0000000000e+00
10 -4.0819088350e-01 3.2410019723e-01 -1.1422033967e+00 7.3401251315e-01 -1.1422033967e+00 1.2800000000e+02 5.9412558628e-05 1.0000000000e+00
11 -4.1157244989e-01 3.3371780245e-01 -1.1431922673e+00 7.3161981744e-01 -1.1431922673e+00 1.2800000000e+02 5.9897919936e-05 1.0000000000e+00
12 -4.0725968538e-01 3.2861090572e-01 -1.1396545685e+00 7.3239488316e-01 -1.1396545685e+00 1.2800000000e+02 5.9972412114e-05 1.0000000000e+00
13 -4.1242794694e-01 3.3027926811e-01 -1.1425673051e+00 7.3013935815e-01 -1.1425673051e+00 1.2800000000e+02 5.9691196292e-05 1.0000000000e+00
14 -4.0698432272e-01 3.2829906068e-01 -1.1387477686e+00 7.3176344591e-01 -1.1387477686e+00 1.2800000000e+02 5.9937866229e-05 1.0000000000e+00
15 -4.1162309980e-01 3.3417318389e-01 -1.1477759399e+00 7.3615284008e-01 -1.1477759399e+00 1.2800000000e+02 5.9574130859e-05 1.0000000000e+00
16 -4.1288037229e-01 3.5386372214e-01 -1.1494641889e+00 7.3658381662e-01 -1.1494641889e+00 1.2800000000e+02 6.0227851563e-05 1.0000000000e+00
17 -4.1982201005e-01 3.7442476245e-01 -1.1621007367e+00 7.4227872662e-01 -1.1621007367e+00 1.2800000000e+02 5.9481826160e-05 1.0000000000e+00
18 -4.2840765898e-01 4.1009779870e-01 -1.1617411786e+00 7.3333351962e-01 -1.1617411786e+00 1.2800000000e+02 5.9754912108e-05 1.0000000000e+00
19 -4.2788827116e-01 3.9145010605e-01 -1.1563847618e+00 7.2849649061e-01 -1.1563847618e+00 1.2800000000e+02 7.5049345689e-05 1.0000000000e+00
20 -4.1798398735e-01 3.3856376960e-01 -1.1395573280e+00 7.2157334060e-01 -1.1395573280e+00 1.2800000000e+02 5.8893569335e-05 1.0000000000e+00
21 -4.3123627091e-01 3.6932830205e-01 -1.1517938704e+00 7.2055759946e-01 -1.1517938704e+00 1.2800000000e+02 5.9475971668e-05 1.0000000000e+00
22 -4.2325982665e-01 3.3288438094e-01 -1.1416970148e+00 7.1843718813e-01 -1.1416970148e+00 1.2800000000e+02 6.0355185521e-05 1.0000000000e+00
23 -4.1516394702e-01 3.1912027055e-01 -1.1315154060e+00 7.1635145894e-01 -1.1315154060e+00 1.2800000000e+02 6.0256318335e-05 1.0000000000e+00
24 -4.1527776992e-01 3.1655840710e-01 -1.1196953037e+00 7.0441753381e-01 -1.1196953037e+00 1.2800000000e+02 5.9733813472e-05 1.0000000000e+00
25 -4.3386865855e-01 3.6612005514e-01 -1.1278765594e+00 6.9400790081e-01 -1.1278765594e+00 1.2800000000e+02 5.9716616196e-05 1.0000000000e+00
26 -4.3070899692e-01 3.4757150463e-01 -1.1169639977e+00 6.8625500074e-01 -1.1169639977e+00 1.2800000000e+02 6.0132363316e-05 1.0000000000e+00
27 -4.1743337658e-01 3.1125733726e-01 -1.0998438070e+00 6.8241043038e-01 -1.0998438070e+00 1.2800000000e+02 5.9851738268e-05 1.0000000000e+00
28 -4.2531251377e-01 3.2436867729e-01 -1.1009805117e+00 6.7566799792e-01 -1.1009805117e+00 1.2800000000e+02 5.9526953105e-05 1.0000000000e+00
29 -4.2576858800e-01 3.2768503639e-01 -1.1110181216e+00 6.8524953356e-01 -1.1110181216e+00 1.2800000000e+02 6.0346850578e-05 1.0000000000e+00
30 -4.2138735976e-01 3.2106451887e-01 -1.0998243426e+00 6.7843698284e-01 -1.0998243426e+00 1.2800000000e+02 5.9537221659e-05 1.0000000000e+00
31 -4.1431471173e-01 3.1507705551e-01 -1.0804954897e+00 6.6618077800e-01 -1.0804954897e+00 1.2800000000e+02 5.9555927741e-05 1.0000000000e+00
32 -4.0647926933e-01 3.0731329514e-01 -1.0671213521e+00 6.6064208277e-01 -1.0671213521e+00 1.2800000000e+02 5.9830424803e-05 1.0000000000e+00
33 -4.0259325328e-01 3.1245309719e-01 -1.0622036253e+00 6.5961037198e-01 -1.0622036253e+00 1.2800000000e+02 5.9900957030e-05 1.0000000000e+00
34 -3.9403410743e-01 2.9647569393e-01 -1.0654879151e+00 6.7145380769e-01 -1.0654879151e+00 1.2800000000e+02 5.9492758801e-05 1.0000000000e+00
35 -3.9743380329e-01 3.0290435794e-01 -1.0798664359e+00 6.8243263263e-01 -1.0798664359e+00 1.2800000000e+02 5.9964692390e-05 1.0000000000e+00
36 -3.9941349236e-01 3.0192633595e-01 -1.0924283206e+00 6.9301482825e-01 -1.0924283206e+00 1.2800000000e+02 5.9849916966e-05 1.0000000000e+00
37 -3.9820073836e-01 3.0024789670e-01 -1.1042112242e+00 7.0601048587e-01 -1.1042112242e+00 1.2800000000e+02 6.0083037116e-05 1.0000000000e+00
38 -4.0286691496e-01 2.9815508051e-01 -1.0996867607e+00 6.9681984576e-01 -1.0996867607e+00 1.2800000000e+02 6.0238955079e-05 1.0000000000e+00
39 -4.1207207534e-01 3.0837906140e-01 -1.1056626851e+00 6.9359060980e-01 -1.1056626851e+00 1.2800000000e+02 5.9670712901e-05 1.0000000000e+00

21
labs/lab1_qmc_statistics/blocking/H.s014.scalar.dat Normal file
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@ -0,0 +1,21 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.3813925211e-01 3.9131521891e-01 -1.1958272370e+00 7.5768798493e-01 -1.1958272370e+00 1.2800000000e+02 5.4606445307e-05 1.0000000000e+00
1 -4.3576447854e-01 3.8013367921e-01 -1.1993051908e+00 7.6354071227e-01 -1.1993051908e+00 1.2800000000e+02 5.8206147457e-05 1.0000000000e+00
2 -4.2575688160e-01 3.6538804247e-01 -1.1752443584e+00 7.4948747679e-01 -1.1752443584e+00 1.2800000000e+02 6.0512963884e-05 1.0000000000e+00
3 -4.1911584450e-01 3.6475574212e-01 -1.1575321685e+00 7.3841632403e-01 -1.1575321685e+00 1.2800000000e+02 7.6529487313e-05 1.0000000000e+00
4 -4.1369224025e-01 3.5652724397e-01 -1.1495300301e+00 7.3583778984e-01 -1.1495300301e+00 1.2800000000e+02 5.9339350603e-05 1.0000000000e+00
5 -4.1693462349e-01 3.8130005550e-01 -1.1612083043e+00 7.4427368086e-01 -1.1612083043e+00 1.2800000000e+02 5.9492626963e-05 1.0000000000e+00
6 -4.2127681998e-01 3.8700891494e-01 -1.1682943592e+00 7.4701753918e-01 -1.1682943592e+00 1.2800000000e+02 5.9995649405e-05 1.0000000000e+00
7 -4.3351367159e-01 4.4305597099e-01 -1.1878965294e+00 7.5438285785e-01 -1.1878965294e+00 1.2800000000e+02 5.9268427755e-05 1.0000000000e+00
8 -4.4352388240e-01 4.6684547379e-01 -1.2059663460e+00 7.6244246365e-01 -1.2059663460e+00 1.2800000000e+02 5.9980815404e-05 1.0000000000e+00
9 -4.5109755100e-01 5.1314878433e-01 -1.2067578690e+00 7.5566031801e-01 -1.2067578690e+00 1.2800000000e+02 5.9788076165e-05 1.0000000000e+00
10 -4.6048892897e-01 5.0130133962e-01 -1.2038961226e+00 7.4340719366e-01 -1.2038961226e+00 1.2800000000e+02 5.9748046898e-05 1.0000000000e+00
11 -4.4772985433e-01 4.0624614965e-01 -1.1832280250e+00 7.3549817068e-01 -1.1832280250e+00 1.2800000000e+02 5.9800834951e-05 1.0000000000e+00
12 -4.3596756072e-01 3.7897082618e-01 -1.1622768068e+00 7.2630924605e-01 -1.1622768068e+00 1.2800000000e+02 5.9687363255e-05 1.0000000000e+00
13 -4.3439718247e-01 3.8390548794e-01 -1.1731702502e+00 7.3877306770e-01 -1.1731702502e+00 1.2800000000e+02 5.9490581052e-05 1.0000000000e+00
14 -4.2934646211e-01 3.5628547330e-01 -1.1634475034e+00 7.3410104129e-01 -1.1634475034e+00 1.2800000000e+02 6.0031669921e-05 1.0000000000e+00
15 -4.2533226714e-01 3.5444162201e-01 -1.1519693844e+00 7.2663711722e-01 -1.1519693844e+00 1.2800000000e+02 5.9865097661e-05 1.0000000000e+00
16 -4.4413923205e-01 4.2882197416e-01 -1.1753830999e+00 7.3124386787e-01 -1.1753830999e+00 1.2800000000e+02 5.9627158191e-05 1.0000000000e+00
17 -4.2840384881e-01 3.9499979800e-01 -1.1574063671e+00 7.2900251824e-01 -1.1574063671e+00 1.2800000000e+02 5.9745136713e-05 1.0000000000e+00
18 -4.2577930049e-01 3.5930772755e-01 -1.1665506012e+00 7.4077130070e-01 -1.1665506012e+00 1.2800000000e+02 6.0043886698e-05 1.0000000000e+00
19 -4.2576780372e-01 3.6496829976e-01 -1.1701217137e+00 7.4435391001e-01 -1.1701217137e+00 1.2800000000e+02 5.9706425773e-05 1.0000000000e+00

11
labs/lab1_qmc_statistics/blocking/H.s015.scalar.dat Normal file
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@ -0,0 +1,11 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.7988638796e-01 4.2852461277e-01 -1.0463385645e+00 5.6645217654e-01 -1.0463385645e+00 1.2800000000e+02 5.5862441410e-05 1.0000000000e+00
1 -4.7015916541e-01 3.8823554949e-01 -1.0297207358e+00 5.5956157034e-01 -1.0297207358e+00 1.2800000000e+02 5.8885361351e-05 1.0000000000e+00
2 -4.7064617621e-01 3.8179637176e-01 -1.0371361447e+00 5.6648996849e-01 -1.0371361447e+00 1.2800000000e+02 5.9618129896e-05 1.0000000000e+00
3 -4.7690274659e-01 4.0242566505e-01 -1.0488678596e+00 5.7196511306e-01 -1.0488678596e+00 1.2800000000e+02 6.0196997090e-05 1.0000000000e+00
4 -4.6573499130e-01 3.8461726123e-01 -1.0366813940e+00 5.7094640273e-01 -1.0366813940e+00 1.2800000000e+02 5.9485034168e-05 1.0000000000e+00
5 -4.5664480865e-01 3.8083977508e-01 -1.0428715822e+00 5.8622677355e-01 -1.0428715822e+00 1.2800000000e+02 6.0016562511e-05 1.0000000000e+00
6 -4.5068366555e-01 3.5293360521e-01 -1.0352752763e+00 5.8459161073e-01 -1.0352752763e+00 1.2800000000e+02 7.3874858412e-05 1.0000000000e+00
7 -4.5705150417e-01 3.7026197159e-01 -1.0487870141e+00 5.9173550996e-01 -1.0487870141e+00 1.2800000000e+02 6.0103740253e-05 1.0000000000e+00
8 -4.6532712149e-01 4.0987847551e-01 -1.0593693179e+00 5.9404219639e-01 -1.0593693179e+00 1.2800000000e+02 6.0102265646e-05 1.0000000000e+00
9 -4.6418942682e-01 3.8200467571e-01 -1.0571079954e+00 5.9291856859e-01 -1.0571079954e+00 1.2800000000e+02 5.9987954074e-05 1.0000000000e+00

159
labs/lab1_qmc_statistics/blocking/H.xml Normal file
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@ -0,0 +1,159 @@
<?xml version="1.0"?>
<simulation>
<project id="H" series="0">
<application name="qmcapp" role="molecu" class="serial" version="0.2">
QMC of H atom
</application>
</project>
<random seed="-1"/>
<particleset name="e">
<group name="u" size="1">
<parameter name="charge">-1</parameter>
<attrib name="position" datatype="posArray">
-0.500000 0.5000000 -0.50000
</attrib>
</group>
</particleset>
<particleset name="ion0" size="1">
<group name="H">
<parameter name="charge">1</parameter>
</group>
<attrib name="position" datatype="posArray">
0.0 0.0 0.0
</attrib>
</particleset>
<wavefunction name="psi0" target="e">
<determinantset name="LCAOBSet" type="MolecularOrbital" transform="yes" source="ion0">
<basisset name="LCAOBSet">
<atomicBasisSet name="3-21G" angular="cartesian" type="Gaussian" elementType="H" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<basisGroup rid="H00" n="0" l="0" type="Gaussian">
<radfunc exponent="1.309756377000e+00" contraction="4.301284940000e-01"/>
<radfunc exponent="2.331359740000e-01" contraction="6.789135310000e-01"/>
</basisGroup>
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
</determinant>
</slaterdeterminant>
</determinantset>
</wavefunction>
<hamiltonian name="h0" type="generic" target="e">
<pairpot name="ElecElec" type="coulomb" source="e" target="e"/>
<pairpot name="Coulomb" type="coulomb" source="ion0" target="e"/>
<constant name="IonIon" type="coulomb" source="ion0" target="ion0"/>
</hamiltonian>
<qmc method="vmc" target="e">
<parameter name="blocks">50000</parameter>
<parameter name="steps">1</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">25000</parameter>
<parameter name="steps">2</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">12500</parameter>
<parameter name="steps">4</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">6250</parameter>
<parameter name="steps">8</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">3125</parameter>
<parameter name="steps">16</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">2500</parameter>
<parameter name="steps">20</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">1250</parameter>
<parameter name="steps">40</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">1000</parameter>
<parameter name="steps">50</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">500</parameter>
<parameter name="steps">100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">250</parameter>
<parameter name="steps">200</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">125</parameter>
<parameter name="steps">400</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">100</parameter>
<parameter name="steps">500</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks"> 50</parameter>
<parameter name="steps">1000</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks"> 40</parameter>
<parameter name="steps">1250</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks"> 20</parameter>
<parameter name="steps">2500</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks"> 10</parameter>
<parameter name="steps">5000</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
</simulation>

5
labs/lab1_qmc_statistics/blocks/H.dat Normal file
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@ -0,0 +1,5 @@
500 H series 0 -0.451276 +/- 0.004104 0.554500 +/- 0.041630 1.2287 13.178385
2000 H series 1 -0.454953 +/- 0.001512 0.510220 +/- 0.011461 1.1215 55.686709
8000 H series 2 -0.453859 +/- 0.000877 0.536538 +/- 0.021189 1.1822 252.108632
32000 H series 3 -0.454362 +/- 0.000497 0.519411 +/- 0.007358 1.1432 1093.872134
128000 H series 4 -0.454285 +/- 0.000231 0.513667 +/- 0.002625 1.1307 4385.037358

35
labs/lab1_qmc_statistics/blocks/H.plt Normal file
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@ -0,0 +1,35 @@
#set terminal png size 400,300
#set output 'nblock_vs_tcpu_energy_H_STO-2G.png'
TOP = 0.98
DY = 0.42
unset key
set multiplot
set xrange [200:200000]
set logscale x
#Total energy
set xlabel "Number of blocks"
set yrange [-0.458:-0.447]
set tmargin at screen TOP-DY
set bmargin at screen TOP-2*DY
#set ytics -0.455,0.001,-0.450
set ylabel "E_total\n(hartree)"
plot "H.dat" using 1:5:7 with errorbars
#Total execution time
set xtics format ''
unset xlabel
set logscale y
set yrange [5:5000]
set tmargin at screen TOP
set bmargin at screen TOP-DY
#set ytics 0,50,300
set ylabel "t_CPU,total (s)" offset -3
plot "H.dat" using 1:12
unset multiplot
pause -1

501
labs/lab1_qmc_statistics/blocks/H.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -2.8847190131e-01 3.8656792406e-01 -1.4090294927e+00 1.1205575914e+00 -1.4090294927e+00 1.2800000000e+04 5.4985188867e-03 9.9992187500e-01
1 -3.1404280335e-01 3.8627626722e-01 -1.3808211399e+00 1.0667783366e+00 -1.3808211399e+00 1.2800000000e+04 5.5712989551e-03 1.0000000000e+00
2 -3.1692697964e-01 5.2294478619e-01 -1.3283671744e+00 1.0114401947e+00 -1.3283671744e+00 1.2800000000e+04 5.5205387207e-03 9.9992187500e-01
3 -3.9759075344e-01 1.2617943552e+00 -1.5343473021e+00 1.1367565487e+00 -1.5343473021e+00 1.2800000000e+04 5.5174229102e-03 9.9984375000e-01
4 -4.4287535101e-01 1.8493162635e+00 -1.4699859342e+00 1.0271105832e+00 -1.4699859342e+00 1.2800000000e+04 5.4963227441e-03 1.0000000000e+00
5 -4.2855544208e-01 9.4253845941e-01 -1.3999464774e+00 9.7139103528e-01 -1.3999464774e+00 1.2800000000e+04 5.5216571729e-03 9.9992187500e-01
6 -4.7661184401e-01 8.2171905571e-01 -1.4089916380e+00 9.3237979404e-01 -1.4089916380e+00 1.2800000000e+04 5.5209459521e-03 1.0000000000e+00
7 -4.6962060869e-01 9.6103412732e-01 -1.4311387041e+00 9.6151809544e-01 -1.4311387041e+00 1.2800000000e+04 5.5200527930e-03 1.0000000000e+00
8 -4.3983344790e-01 6.9790922080e-01 -1.3848318891e+00 9.4499844125e-01 -1.3848318891e+00 1.2800000000e+04 5.5223105127e-03 9.9992187500e-01
9 -4.7126893936e-01 8.7383535620e-01 -1.4295552484e+00 9.5828630904e-01 -1.4295552484e+00 1.2800000000e+04 5.5031466064e-03 1.0000000000e+00
10 -4.4434219596e-01 6.8934457110e-01 -1.3804929128e+00 9.3615071687e-01 -1.3804929128e+00 1.2800000000e+04 5.5125609619e-03 9.9992187500e-01
11 -4.0353502358e-01 4.6255719915e-01 -1.2745037239e+00 8.7096870027e-01 -1.2745037239e+00 1.2800000000e+04 5.5210685107e-03 9.9984375000e-01
12 -4.0687795497e-01 5.1022074810e-01 -1.2817611491e+00 8.7488319415e-01 -1.2817611491e+00 1.2800000000e+04 5.5109061816e-03 1.0000000000e+00
13 -4.1012570150e-01 4.9959065684e-01 -1.2595807896e+00 8.4945508810e-01 -1.2595807896e+00 1.2800000000e+04 5.5171083301e-03 9.9992187500e-01
14 -4.2876618905e-01 5.6883746551e-01 -1.2530423455e+00 8.2427615641e-01 -1.2530423455e+00 1.2800000000e+04 5.4932642578e-03 1.0000000000e+00
15 -4.8570823899e-01 6.1652997308e-01 -1.2429959456e+00 7.5728770666e-01 -1.2429959456e+00 1.2800000000e+04 5.5174453467e-03 1.0000000000e+00
16 -4.7126574048e-01 9.8833990207e-01 -1.2594969090e+00 7.8823116848e-01 -1.2594969090e+00 1.2800000000e+04 5.5160121533e-03 1.0000000000e+00
17 -4.3036623688e-01 6.6876877255e-01 -1.1990591982e+00 7.6869296133e-01 -1.1990591982e+00 1.2800000000e+04 5.5270905225e-03 9.9992187500e-01
18 -4.3151135941e-01 1.0419275248e+00 -1.2864201922e+00 8.5490883277e-01 -1.2864201922e+00 1.2800000000e+04 5.5159841650e-03 9.9992187500e-01
19 -4.0377552799e-01 5.4710894791e-01 -1.2608818304e+00 8.5710630243e-01 -1.2608818304e+00 1.2800000000e+04 5.4953022803e-03 9.9992187500e-01
20 -3.7192509868e-01 3.7183763014e-01 -1.1600691694e+00 7.8814407075e-01 -1.1600691694e+00 1.2800000000e+04 5.5122924268e-03 1.0000000000e+00
21 -4.6056913033e-01 8.7325004224e-01 -1.1417100659e+00 6.8114093552e-01 -1.1417100659e+00 1.2800000000e+04 5.5214098584e-03 9.9992187500e-01
22 -4.3732668029e-01 3.8696898658e-01 -1.0853888702e+00 6.4806218995e-01 -1.0853888702e+00 1.2800000000e+04 5.5123770361e-03 1.0000000000e+00
23 -4.4764356805e-01 5.5013553670e-01 -1.1178125263e+00 6.7016895830e-01 -1.1178125263e+00 1.2800000000e+04 5.5234134814e-03 1.0000000000e+00
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442 -4.8566403422e-01 6.7765769909e-01 -1.1982579871e+00 7.1259395291e-01 -1.1982579871e+00 1.2800000000e+04 5.5157946484e-03 9.9992187500e-01
443 -4.3283147652e-01 4.3891020257e-01 -1.1604515762e+00 7.2762009966e-01 -1.1604515762e+00 1.2800000000e+04 5.5182553369e-03 9.9992187500e-01
444 -4.0384066675e-01 6.3611632782e-01 -1.1888891913e+00 7.8504852452e-01 -1.1888891913e+00 1.2800000000e+04 5.5176248877e-03 9.9992187500e-01
445 -4.3996853466e-01 7.4813386270e-01 -1.2914107208e+00 8.5144218614e-01 -1.2914107208e+00 1.2800000000e+04 5.5173485938e-03 1.0000000000e+00
446 -4.6481616442e-01 1.2955783659e+00 -1.2850245906e+00 8.2020842621e-01 -1.2850245906e+00 1.2800000000e+04 5.5009545752e-03 1.0000000000e+00
447 -4.4704660616e-01 4.3152940569e-01 -1.1497644433e+00 7.0271783718e-01 -1.1497644433e+00 1.2800000000e+04 5.5260430225e-03 1.0000000000e+00
448 -4.9099324981e-01 6.9264242164e-01 -1.1862037314e+00 6.9521048156e-01 -1.1862037314e+00 1.2800000000e+04 5.5227997949e-03 9.9992187500e-01
449 -4.9892010254e-01 6.1963741549e-01 -1.1511585453e+00 6.5223844280e-01 -1.1511585453e+00 1.2800000000e+04 5.5160915088e-03 1.0000000000e+00
450 -4.7670516615e-01 4.8542915588e-01 -1.0882200606e+00 6.1151489447e-01 -1.0882200606e+00 1.2800000000e+04 5.5212794678e-03 1.0000000000e+00
451 -4.7953712906e-01 5.9897796099e-01 -1.1818709127e+00 7.0233378360e-01 -1.1818709127e+00 1.2800000000e+04 5.5012820605e-03 1.0000000000e+00
452 -4.8143640624e-01 5.8384067610e-01 -1.1145228031e+00 6.3308639685e-01 -1.1145228031e+00 1.2800000000e+04 5.5174398877e-03 1.0000000000e+00
453 -4.4828582624e-01 3.7961403788e-01 -1.0995186892e+00 6.5123286298e-01 -1.0995186892e+00 1.2800000000e+04 5.5209970947e-03 9.9992187500e-01
454 -4.9572823304e-01 8.3843136597e-01 -1.0948086689e+00 5.9908043589e-01 -1.0948086689e+00 1.2800000000e+04 5.5195143164e-03 1.0000000000e+00
455 -4.7972327528e-01 4.7555649615e-01 -1.1879886362e+00 7.0826536094e-01 -1.1879886362e+00 1.2800000000e+04 5.5206540186e-03 1.0000000000e+00
456 -4.5193507908e-01 5.4740771139e-01 -1.1779536202e+00 7.2601854108e-01 -1.1779536202e+00 1.2800000000e+04 5.5005259033e-03 1.0000000000e+00
457 -4.3788181124e-01 6.7118181498e-01 -1.2350207389e+00 7.9713892770e-01 -1.2350207389e+00 1.2800000000e+04 5.6377279102e-03 9.9992187500e-01
458 -4.7573186801e-01 1.3311418180e+00 -1.3446046884e+00 8.6887282038e-01 -1.3446046884e+00 1.2800000000e+04 5.5120042236e-03 1.0000000000e+00
459 -4.2822272067e-01 4.8525091283e-01 -1.1730035414e+00 7.4478082078e-01 -1.1730035414e+00 1.2800000000e+04 5.5171702734e-03 9.9992187500e-01
460 -4.9318634097e-01 6.4621381696e-01 -1.2599901159e+00 7.6680377489e-01 -1.2599901159e+00 1.2800000000e+04 5.5223547021e-03 9.9992187500e-01
461 -4.5451202199e-01 8.1838137231e-01 -1.2134784222e+00 7.5896640019e-01 -1.2134784222e+00 1.2800000000e+04 5.5207068994e-03 1.0000000000e+00
462 -4.5612124452e-01 8.1912809929e-01 -1.1877726255e+00 7.3165138096e-01 -1.1877726255e+00 1.2800000000e+04 5.4999293213e-03 9.9992187500e-01
463 -4.5538349636e-01 5.7818645547e-01 -1.2301414660e+00 7.7475796961e-01 -1.2301414660e+00 1.2800000000e+04 5.5160619336e-03 9.9992187500e-01
464 -5.5379420926e-01 1.3988803620e+00 -1.3904142009e+00 8.3661999159e-01 -1.3904142009e+00 1.2800000000e+04 5.5170475879e-03 1.0000000000e+00
465 -4.6265306812e-01 1.0106863482e+00 -1.3213239794e+00 8.5867091130e-01 -1.3213239794e+00 1.2800000000e+04 5.5169111816e-03 1.0000000000e+00
466 -5.0125446356e-01 1.4124631599e+00 -1.3101251227e+00 8.0887065917e-01 -1.3101251227e+00 1.2800000000e+04 5.5205735986e-03 1.0000000000e+00
467 -5.2843750842e-01 9.7749712187e-01 -1.3563584137e+00 8.2792090524e-01 -1.3563584137e+00 1.2800000000e+04 5.4966802100e-03 1.0000000000e+00
468 -4.8499246353e-01 8.1322338103e-01 -1.3210719435e+00 8.3607948002e-01 -1.3210719435e+00 1.2800000000e+04 5.5196425342e-03 9.9992187500e-01
469 -4.9391537013e-01 6.5636605946e-01 -1.2659570886e+00 7.7204171850e-01 -1.2659570886e+00 1.2800000000e+04 5.5204345557e-03 1.0000000000e+00
470 -5.1643207826e-01 8.9385471601e-01 -1.2725720309e+00 7.5613995261e-01 -1.2725720309e+00 1.2800000000e+04 5.5178186572e-03 1.0000000000e+00
471 -4.5017601817e-01 4.4771805492e-01 -1.1656945697e+00 7.1551855154e-01 -1.1656945697e+00 1.2800000000e+04 5.5166069336e-03 1.0000000000e+00
472 -4.6251654791e-01 9.1325977875e-01 -1.2611036739e+00 7.9858712600e-01 -1.2611036739e+00 1.2800000000e+04 5.5043208887e-03 1.0000000000e+00
473 -4.4465259259e-01 5.1159028099e-01 -1.1644648881e+00 7.1981229553e-01 -1.1644648881e+00 1.2800000000e+04 5.5204731250e-03 1.0000000000e+00
474 -4.4562101289e-01 4.9020408805e-01 -1.1575363185e+00 7.1191530562e-01 -1.1575363185e+00 1.2800000000e+04 5.5216283545e-03 9.9992187500e-01
475 -4.1445646336e-01 4.6552567613e-01 -1.1245715638e+00 7.1011510044e-01 -1.1245715638e+00 1.2800000000e+04 5.5234318896e-03 1.0000000000e+00
476 -3.9579641367e-01 4.8442117339e-01 -1.2805485277e+00 8.8475211403e-01 -1.2805485277e+00 1.2800000000e+04 5.5267896191e-03 1.0000000000e+00
477 -4.1788052913e-01 6.7856284507e-01 -1.3050828755e+00 8.8720234635e-01 -1.3050828755e+00 1.2800000000e+04 5.5003322852e-03 1.0000000000e+00
478 -4.1835827799e-01 5.0077684553e-01 -1.2329256551e+00 8.1456737712e-01 -1.2329256551e+00 1.2800000000e+04 5.5230848486e-03 1.0000000000e+00
479 -4.2756898771e-01 5.7043698956e-01 -1.2750538508e+00 8.4748486305e-01 -1.2750538508e+00 1.2800000000e+04 5.5159420459e-03 9.9992187500e-01
480 -5.3774201350e-01 1.7370909996e+00 -1.3700046332e+00 8.3226261969e-01 -1.3700046332e+00 1.2800000000e+04 5.5240881396e-03 1.0000000000e+00
481 -4.4062005800e-01 5.4698495008e-01 -1.2008445793e+00 7.6022452127e-01 -1.2008445793e+00 1.2800000000e+04 5.5192142773e-03 9.9984375000e-01
482 -4.0901226361e-01 4.8807410414e-01 -1.1676284860e+00 7.5861622235e-01 -1.1676284860e+00 1.2800000000e+04 5.4931288184e-03 1.0000000000e+00
483 -4.3779780723e-01 4.9598953677e-01 -1.1453660354e+00 7.0756822816e-01 -1.1453660354e+00 1.2800000000e+04 5.5162833984e-03 1.0000000000e+00
484 -4.3386696774e-01 4.1768532241e-01 -1.0755384431e+00 6.4167147539e-01 -1.0755384431e+00 1.2800000000e+04 5.5125740820e-03 9.9992187500e-01
485 -4.9569819009e-01 7.5011771398e-01 -1.2364993387e+00 7.4080114859e-01 -1.2364993387e+00 1.2800000000e+04 5.5217429590e-03 1.0000000000e+00
486 -4.4694583590e-01 5.7918443065e-01 -1.1556877328e+00 7.0874189689e-01 -1.1556877328e+00 1.2800000000e+04 5.5195041650e-03 9.9984375000e-01
487 -4.8500915654e-01 1.2877246569e+00 -1.1893497694e+00 7.0434061290e-01 -1.1893497694e+00 1.2800000000e+04 5.5071212549e-03 1.0000000000e+00
488 -4.5966010090e-01 5.1935030896e-01 -1.1160338841e+00 6.5637378315e-01 -1.1160338841e+00 1.2800000000e+04 5.5216591748e-03 1.0000000000e+00
489 -5.0589189587e-01 9.4177842286e-01 -1.2066091907e+00 7.0071729487e-01 -1.2066091907e+00 1.2800000000e+04 5.5166959277e-03 1.0000000000e+00
490 -4.7734657421e-01 4.9915553042e-01 -1.1488890227e+00 6.7154244854e-01 -1.1488890227e+00 1.2800000000e+04 5.5210790723e-03 9.9992187500e-01
491 -4.8230718056e-01 4.7233111151e-01 -1.0953419945e+00 6.1303481391e-01 -1.0953419945e+00 1.2800000000e+04 5.5175132471e-03 9.9976562500e-01
492 -4.8275432894e-01 6.6370486652e-01 -1.1251316606e+00 6.4237733170e-01 -1.1251316606e+00 1.2800000000e+04 5.5012482910e-03 1.0000000000e+00
493 -4.4170287145e-01 4.4284686392e-01 -1.1286885858e+00 6.8698571437e-01 -1.1286885858e+00 1.2800000000e+04 5.5203095898e-03 9.9984375000e-01
494 -4.7733753269e-01 6.9796373824e-01 -1.2024858043e+00 7.2514827165e-01 -1.2024858043e+00 1.2800000000e+04 5.5180744336e-03 9.9992187500e-01
495 -5.1091189860e-01 7.2313046313e-01 -1.2486728564e+00 7.3776095783e-01 -1.2486728564e+00 1.2800000000e+04 5.5209776367e-03 1.0000000000e+00
496 -4.7764320621e-01 5.5443493856e-01 -1.1966122377e+00 7.1896903148e-01 -1.1966122377e+00 1.2800000000e+04 5.5158425781e-03 9.9984375000e-01
497 -5.3126965889e-01 8.9930683732e-01 -1.2175994529e+00 6.8632979405e-01 -1.2175994529e+00 1.2800000000e+04 5.4993756152e-03 9.9992187500e-01
498 -4.5135741516e-01 4.5523393250e-01 -1.1492243457e+00 6.9786693053e-01 -1.1492243457e+00 1.2800000000e+04 5.5220286523e-03 9.9976562500e-01
499 -4.4858244831e-01 5.4974691798e-01 -1.1454988865e+00 6.9691643823e-01 -1.1454988865e+00 1.2800000000e+04 5.5184183301e-03 9.9992187500e-01

2001
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8001
labs/lab1_qmc_statistics/blocks/H.s002.scalar.dat Normal file
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32001
labs/lab1_qmc_statistics/blocks/H.s003.scalar.dat Normal file
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128001
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labs/lab1_qmc_statistics/blocks/H.xml Normal file
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@ -0,0 +1,82 @@
<?xml version="1.0"?>
<simulation>
<project id="H" series="0">
<application name="qmcapp" role="molecu" class="serial" version="0.2">
QMC of H atom
</application>
</project>
<random seed="-1"/>
<particleset name="e">
<group name="u" size="1">
<parameter name="charge">-1</parameter>
<attrib name="position" datatype="posArray">
-0.500000 0.5000000 -0.50000
</attrib>
</group>
</particleset>
<particleset name="ion0" size="1">
<group name="H">
<parameter name="charge">1</parameter>
</group>
<attrib name="position" datatype="posArray">
0.0 0.0 0.0
</attrib>
</particleset>
<wavefunction name="psi0" target="e">
<determinantset name="LCAOBSet" type="MolecularOrbital" transform="yes" source="ion0">
<basisset name="LCAOBSet">
<atomicBasisSet name="3-21G" angular="cartesian" type="Gaussian" elementType="H" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<basisGroup rid="H00" n="0" l="0" type="Gaussian">
<radfunc exponent="1.309756377000e+00" contraction="4.301284940000e-01"/>
<radfunc exponent="2.331359740000e-01" contraction="6.789135310000e-01"/>
</basisGroup>
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
</determinant>
</slaterdeterminant>
</determinantset>
</wavefunction>
<hamiltonian name="h0" type="generic" target="e">
<pairpot name="ElecElec" type="coulomb" source="e" target="e"/>
<pairpot name="Coulomb" type="coulomb" source="ion0" target="e"/>
<constant name="IonIon" type="coulomb" source="ion0" target="ion0"/>
</hamiltonian>
<qmc method="vmc" target="e">
<parameter name="blocks"> 500</parameter>
<parameter name="steps"> 100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">2000</parameter>
<parameter name="steps"> 100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">8000</parameter>
<parameter name="steps"> 100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">32000</parameter>
<parameter name="steps"> 100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
<qmc method="vmc" target="e">
<parameter name="blocks">128000</parameter>
<parameter name="steps"> 100</parameter>
<parameter name="samples">1600</parameter>
<parameter name="warmupsteps">100</parameter>
<parameter name="timestep">0.001</parameter>
</qmc>
</simulation>

501
labs/lab1_qmc_statistics/dimer/H2_STO___no_jastrow.s000.scalar.dat Normal file
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# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -7.4279840407e-01 1.4918526999e+00 -2.3021790153e+00 1.5593806112e+00 7.7933276245e-01 -3.7949820974e+00 7.1347031963e-01 1.2800000000e+04 9.7508555127e-03 9.8089843750e-01
1 -7.4645693346e-01 1.4864975945e+00 -2.3302975125e+00 1.5838405790e+00 7.7251471495e-01 -3.8162825471e+00 7.1347031963e-01 1.2800000000e+04 9.4088166650e-03 9.8039062500e-01
2 -7.3831820173e-01 1.7040018090e+00 -2.3633097524e+00 1.6249915507e+00 8.0211460762e-01 -3.8788946796e+00 7.1347031963e-01 1.2800000000e+04 9.4213783154e-03 9.8144531250e-01
3 -7.1992168809e-01 1.5841616957e+00 -2.2548754269e+00 1.5349537388e+00 7.8704205424e-01 -3.7553878007e+00 7.1347031963e-01 1.2800000000e+04 9.4162106738e-03 9.8097656250e-01
4 -7.8824187572e-01 1.5038016695e+00 -2.2574790254e+00 1.4692371497e+00 7.3262605999e-01 -3.7035754050e+00 7.1347031963e-01 1.2800000000e+04 9.4060879590e-03 9.8195312500e-01
5 -7.6895104630e-01 1.6875912917e+00 -2.2478462777e+00 1.4788952314e+00 7.6185234095e-01 -3.7231689383e+00 7.1347031963e-01 1.2800000000e+04 9.4191831152e-03 9.8164062500e-01
6 -7.6044983534e-01 1.8533583006e+00 -2.3722487546e+00 1.6117989192e+00 7.6530594456e-01 -3.8510250187e+00 7.1347031963e-01 1.2800000000e+04 9.4178666602e-03 9.8066406250e-01
7 -7.6388948495e-01 1.8707584223e+00 -2.3166116568e+00 1.5527221718e+00 7.6584015355e-01 -3.7959221300e+00 7.1347031963e-01 1.2800000000e+04 9.3996824902e-03 9.8070312500e-01
8 -7.5507874368e-01 1.5291006902e+00 -2.2420416993e+00 1.4869629557e+00 7.5264502903e-01 -3.7081570480e+00 7.1347031963e-01 1.2800000000e+04 9.4146335303e-03 9.8324218750e-01
9 -7.5002430584e-01 1.5637296669e+00 -2.3009245086e+00 1.5509002027e+00 7.7776691218e-01 -3.7921617404e+00 7.1347031963e-01 1.2800000000e+04 9.4264287256e-03 9.8261718750e-01
10 -7.9080816430e-01 1.6508254772e+00 -2.2787947075e+00 1.4879865432e+00 7.4878327449e-01 -3.7410483016e+00 7.1347031963e-01 1.2800000000e+04 9.3935352002e-03 9.8062500000e-01
11 -7.3331285018e-01 2.3237807471e+00 -2.2923828508e+00 1.5590700006e+00 7.8319456194e-01 -3.7890477323e+00 7.1347031963e-01 1.2800000000e+04 9.4054694531e-03 9.8152343750e-01
12 -7.9727867413e-01 1.6724726132e+00 -2.2828231177e+00 1.4855444436e+00 7.5047800017e-01 -3.7467714375e+00 7.1347031963e-01 1.2800000000e+04 9.4220137158e-03 9.8359375000e-01
13 -7.7406617146e-01 1.6489013321e+00 -2.2364427817e+00 1.4623766102e+00 7.4217276095e-01 -3.6920858623e+00 7.1347031963e-01 1.2800000000e+04 9.4317983594e-03 9.8183593750e-01
14 -8.0042206217e-01 2.7868774174e+00 -2.3073286994e+00 1.5069066372e+00 7.7163732603e-01 -3.7924363450e+00 7.1347031963e-01 1.2800000000e+04 9.4007307715e-03 9.8089843750e-01
15 -7.7680379750e-01 2.7264583907e+00 -2.2605196051e+00 1.4837158076e+00 7.6575160973e-01 -3.7397415345e+00 7.1347031963e-01 1.2800000000e+04 9.4011509668e-03 9.8179687500e-01
16 -8.1518078144e-01 1.8506719909e+00 -2.3247303392e+00 1.5095495577e+00 7.6213018950e-01 -3.8003308483e+00 7.1347031963e-01 1.2800000000e+04 9.4228878906e-03 9.8226562500e-01
17 -7.3514922117e-01 1.5317776384e+00 -2.2811908925e+00 1.5460416713e+00 7.7999145633e-01 -3.7746526685e+00 7.1347031963e-01 1.2800000000e+04 9.4077726025e-03 9.8167968750e-01
18 -7.5266484256e-01 1.6288919539e+00 -2.3007302745e+00 1.5480654319e+00 7.7186538859e-01 -3.7860659827e+00 7.1347031963e-01 1.2800000000e+04 9.3952734717e-03 9.8027343750e-01
19 -7.8249480588e-01 1.8193638795e+00 -2.2936911605e+00 1.5111963546e+00 7.9001515775e-01 -3.7971766379e+00 7.1347031963e-01 1.2800000000e+04 9.4207917627e-03 9.8242187500e-01
20 -7.7037826279e-01 1.7407336391e+00 -2.3895570240e+00 1.6191787612e+00 7.8424387037e-01 -3.8872712140e+00 7.1347031963e-01 1.2800000000e+04 9.4114412061e-03 9.8011718750e-01
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450 -7.6682294151e-01 2.0100298561e+00 -2.2957402747e+00 1.5289173332e+00 7.7642990639e-01 -3.7856405007e+00 7.1347031963e-01 1.2800000000e+04 9.4095941553e-03 9.8140625000e-01
451 -7.7119583892e-01 2.4208683485e+00 -2.3112755904e+00 1.5400797514e+00 7.6131665624e-01 -3.7860625662e+00 7.1347031963e-01 1.2800000000e+04 9.4064235645e-03 9.8128906250e-01
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453 -7.5669302063e-01 1.6163165155e+00 -2.2997329428e+00 1.5430399222e+00 7.8169389133e-01 -3.7948971538e+00 7.1347031963e-01 1.2800000000e+04 9.4099105127e-03 9.8148437500e-01
454 -7.8232563355e-01 1.8241400882e+00 -2.3254309297e+00 1.5431052962e+00 7.7546982253e-01 -3.8143710719e+00 7.1347031963e-01 1.2800000000e+04 9.4125314648e-03 9.8218750000e-01
455 -7.9309651314e-01 1.8602800537e+00 -2.3516150656e+00 1.5585185525e+00 7.8058518427e-01 -3.8456705695e+00 7.1347031963e-01 1.2800000000e+04 9.3932613477e-03 9.8039062500e-01
456 -8.1102169755e-01 1.6914660762e+00 -2.2620244505e+00 1.4510027530e+00 7.4769220290e-01 -3.7231869731e+00 7.1347031963e-01 1.2800000000e+04 9.4127437500e-03 9.8160156250e-01
457 -7.7570726971e-01 1.6119118629e+00 -2.2846887395e+00 1.5089814698e+00 7.6251962027e-01 -3.7606786795e+00 7.1347031963e-01 1.2800000000e+04 9.4057604932e-03 9.8226562500e-01
458 -7.2912337968e-01 2.0003467199e+00 -2.3517700426e+00 1.6226466629e+00 8.0922803262e-01 -3.8744683948e+00 7.1347031963e-01 1.2800000000e+04 9.4050154932e-03 9.8101562500e-01
459 -7.1766051445e-01 2.4425093036e+00 -2.3124093940e+00 1.5947488795e+00 7.9888506775e-01 -3.8247647814e+00 7.1347031963e-01 1.2800000000e+04 9.4149954004e-03 9.8062500000e-01
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461 -7.4372391796e-01 3.2639171741e+00 -2.2578349155e+00 1.5141109976e+00 8.0704890754e-01 -3.7783541427e+00 7.1347031963e-01 1.2800000000e+04 9.4025559668e-03 9.8089843750e-01
462 -8.0730019542e-01 1.7067379823e+00 -2.2709262821e+00 1.4636260867e+00 7.6814635605e-01 -3.7525429578e+00 7.1347031963e-01 1.2800000000e+04 9.4156515967e-03 9.8281250000e-01
463 -7.9236307172e-01 1.8097459067e+00 -2.3314066219e+00 1.5390435502e+00 7.8562663741e-01 -3.8305035790e+00 7.1347031963e-01 1.2800000000e+04 9.4339911865e-03 9.8304687500e-01
464 -7.2046820562e-01 1.5085250870e+00 -2.2991181244e+00 1.5786499188e+00 7.7997415223e-01 -3.7925625963e+00 7.1347031963e-01 1.2800000000e+04 9.4060328125e-03 9.8250000000e-01
465 -7.0903088270e-01 2.8914829212e+00 -2.3513014454e+00 1.6422705627e+00 7.9742806799e-01 -3.8621998330e+00 7.1347031963e-01 1.2800000000e+04 9.3963400830e-03 9.8015625000e-01
466 -7.0492229312e-01 1.8905332070e+00 -2.3488060812e+00 1.6438837880e+00 7.8004803387e-01 -3.8423244347e+00 7.1347031963e-01 1.2800000000e+04 9.4234053027e-03 9.8082031250e-01
467 -7.3274925373e-01 1.5332721957e+00 -2.2541213021e+00 1.5213720484e+00 7.8300181744e-01 -3.7505934392e+00 7.1347031963e-01 1.2800000000e+04 9.4014151270e-03 9.8148437500e-01
468 -7.5745764297e-01 2.1500657575e+00 -2.3090059857e+00 1.5515483427e+00 8.0739358958e-01 -3.8298698949e+00 7.1347031963e-01 1.2800000000e+04 9.4100494434e-03 9.8242187500e-01
469 -7.5867579274e-01 1.5802433546e+00 -2.2814728629e+00 1.5227970701e+00 7.9517581064e-01 -3.7901189931e+00 7.1347031963e-01 1.2800000000e+04 9.4144527100e-03 9.8308593750e-01
470 -7.4201595436e-01 1.5095114563e+00 -2.1913689370e+00 1.4493529827e+00 7.7044123087e-01 -3.6752804875e+00 7.1347031963e-01 1.2800000000e+04 9.4258671533e-03 9.8195312500e-01
471 -7.2254887559e-01 1.5104904986e+00 -2.2817079743e+00 1.5591590987e+00 7.8315899106e-01 -3.7783372850e+00 7.1347031963e-01 1.2800000000e+04 9.4143887061e-03 9.8191406250e-01
472 -7.5592045204e-01 1.7699997335e+00 -2.3542637498e+00 1.5983432977e+00 7.9847805559e-01 -3.8662121250e+00 7.1347031963e-01 1.2800000000e+04 9.4133825293e-03 9.8164062500e-01
473 -8.0433897906e-01 1.9237581519e+00 -2.2461740963e+00 1.4418351173e+00 7.5089556491e-01 -3.7105399809e+00 7.1347031963e-01 1.2800000000e+04 9.4152988867e-03 9.8281250000e-01
474 -7.4289857601e-01 3.1988368751e+00 -2.3324509017e+00 1.5895523257e+00 8.0253162406e-01 -3.8484528454e+00 7.1347031963e-01 1.2800000000e+04 9.4221908984e-03 9.8078125000e-01
475 -7.6210484394e-01 1.8831668336e+00 -2.3544711247e+00 1.5923662808e+00 7.8596757892e-01 -3.8539090233e+00 7.1347031963e-01 1.2800000000e+04 9.4073595361e-03 9.8148437500e-01
476 -6.8524383657e-01 1.5813733095e+00 -2.3299687492e+00 1.6447249127e+00 8.0835249529e-01 -3.8517915642e+00 7.1347031963e-01 1.2800000000e+04 9.3903729492e-03 9.7953125000e-01
477 -7.6217803441e-01 1.5888102985e+00 -2.2479522843e+00 1.4857742499e+00 7.8438935164e-01 -3.7458119555e+00 7.1347031963e-01 1.2800000000e+04 9.4286970312e-03 9.8187500000e-01
478 -7.3324529664e-01 1.5570559259e+00 -2.3024996590e+00 1.5692543624e+00 7.9014972275e-01 -3.8061197014e+00 7.1347031963e-01 1.2800000000e+04 9.4073739307e-03 9.8160156250e-01
479 -7.2120992230e-01 1.9078799048e+00 -2.3143281016e+00 1.5931181793e+00 8.0249781510e-01 -3.8302962363e+00 7.1347031963e-01 1.2800000000e+04 9.4027344385e-03 9.8078125000e-01
480 -7.9319478826e-01 1.7498745066e+00 -2.2244880925e+00 1.4312933042e+00 7.4240739804e-01 -3.6803658102e+00 7.1347031963e-01 1.2800000000e+04 9.4071112939e-03 9.8113281250e-01
481 -7.2238836448e-01 1.7746650638e+00 -2.3308793494e+00 1.6084909849e+00 7.9024160806e-01 -3.8345912771e+00 7.1347031963e-01 1.2800000000e+04 9.4128614502e-03 9.8113281250e-01
482 -7.6427881506e-01 1.7261145328e+00 -2.3506261568e+00 1.5863473417e+00 7.7872873770e-01 -3.8428252141e+00 7.1347031963e-01 1.2800000000e+04 9.3900025586e-03 9.8031250000e-01
483 -7.0299721885e-01 1.5325597559e+00 -2.3336078326e+00 1.6306106138e+00 7.9249181206e-01 -3.8395699643e+00 7.1347031963e-01 1.2800000000e+04 9.4061356934e-03 9.8199218750e-01
484 -7.3048204140e-01 1.5155370033e+00 -2.3423633152e+00 1.6118812738e+00 7.8033338402e-01 -3.8361670188e+00 7.1347031963e-01 1.2800000000e+04 9.4065977490e-03 9.7914062500e-01
485 -7.2144826855e-01 1.6266831286e+00 -2.3151567731e+00 1.5937085045e+00 7.9470017945e-01 -3.8233272722e+00 7.1347031963e-01 1.2800000000e+04 9.3948060205e-03 9.8011718750e-01
486 -7.0740990915e-01 2.0661214271e+00 -2.3317410660e+00 1.6243311568e+00 8.0690280759e-01 -3.8521141932e+00 7.1347031963e-01 1.2800000000e+04 9.4015881006e-03 9.8136718750e-01
487 -7.3281948118e-01 1.7011291424e+00 -2.3738270195e+00 1.6410075383e+00 8.0128604515e-01 -3.8885833843e+00 7.1347031963e-01 1.2800000000e+04 9.4066917139e-03 9.8187500000e-01
488 -7.8016317937e-01 1.8053873404e+00 -2.2845220986e+00 1.5043589192e+00 7.6307369581e-01 -3.7610661140e+00 7.1347031963e-01 1.2800000000e+04 9.4269924023e-03 9.8152343750e-01
489 -7.5483688783e-01 1.6862550158e+00 -2.3458993389e+00 1.5910624511e+00 7.8582026639e-01 -3.8451899249e+00 7.1347031963e-01 1.2800000000e+04 9.4021354297e-03 9.8074218750e-01
490 -7.2178944489e-01 1.7890359642e+00 -2.2873730595e+00 1.5655836146e+00 8.1545933440e-01 -3.8163027135e+00 7.1347031963e-01 1.2800000000e+04 9.4137558447e-03 9.8238281250e-01
491 -7.2346763921e-01 1.5574701583e+00 -2.3567738628e+00 1.6333062236e+00 8.1794192836e-01 -3.8881861108e+00 7.1347031963e-01 1.2800000000e+04 9.4232292969e-03 9.8171875000e-01
492 -8.2755156304e-01 2.0289637182e+00 -2.2796749454e+00 1.4521233823e+00 7.5229353396e-01 -3.7454387990e+00 7.1347031963e-01 1.2800000000e+04 9.4100098633e-03 9.8308593750e-01
493 -7.2907185493e-01 1.5821282293e+00 -2.2196416556e+00 1.4905698006e+00 7.6324353627e-01 -3.6963555115e+00 7.1347031963e-01 1.2800000000e+04 9.4052523584e-03 9.8175781250e-01
494 -7.7046565996e-01 1.9435151707e+00 -2.3733956123e+00 1.6029299523e+00 7.8014344483e-01 -3.8670093768e+00 7.1347031963e-01 1.2800000000e+04 9.4044887695e-03 9.8058593750e-01
495 -7.4400612864e-01 1.6452262697e+00 -2.2128990591e+00 1.4688929304e+00 7.7535985683e-01 -3.7017292356e+00 7.1347031963e-01 1.2800000000e+04 9.4305311621e-03 9.8191406250e-01
496 -7.1744520804e-01 1.5795993671e+00 -2.3085013287e+00 1.5910561207e+00 7.8099196109e-01 -3.8029636094e+00 7.1347031963e-01 1.2800000000e+04 9.3979846436e-03 9.8093750000e-01
497 -7.7771856528e-01 1.6412687729e+00 -2.2710998253e+00 1.4933812600e+00 7.6620874235e-01 -3.7507788873e+00 7.1347031963e-01 1.2800000000e+04 9.3976043262e-03 9.8113281250e-01
498 -7.2572844959e-01 1.8630575742e+00 -2.3542591163e+00 1.6285306667e+00 8.0315590860e-01 -3.8708853446e+00 7.1347031963e-01 1.2800000000e+04 9.4279597363e-03 9.8113281250e-01
499 -7.9188890056e-01 1.5281494122e+00 -2.3631071132e+00 1.5712182126e+00 7.7037862591e-01 -3.8469560587e+00 7.1347031963e-01 1.2800000000e+04 9.3978350049e-03 9.8035156250e-01

501
labs/lab1_qmc_statistics/dimer/H2_STO_with_jastrow.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -8.9758405129e-01 1.2886730312e+00 -2.0227544631e+00 1.1251704118e+00 5.6693795319e-01 -3.3031627359e+00 7.1347031963e-01 1.2800000000e+04 1.0998026387e-02 9.8773437500e-01
1 -9.0414924439e-01 1.3117198457e+00 -2.0555337540e+00 1.1513845096e+00 5.5039333959e-01 -3.3193974132e+00 7.1347031963e-01 1.2800000000e+04 1.0677926338e-02 9.8832031250e-01
2 -8.8137756990e-01 1.2211481229e+00 -2.0201245026e+00 1.1387469327e+00 5.6476646128e-01 -3.2983612835e+00 7.1347031963e-01 1.2800000000e+04 1.0699506953e-02 9.8816406250e-01
3 -9.1997270352e-01 1.3476046467e+00 -1.9554529027e+00 1.0354801992e+00 5.2187020067e-01 -3.1907934230e+00 7.1347031963e-01 1.2800000000e+04 1.0681180957e-02 9.8859375000e-01
4 -9.3175077204e-01 1.5502503760e+00 -2.0196275617e+00 1.0878767897e+00 5.6730929635e-01 -3.3004071777e+00 7.1347031963e-01 1.2800000000e+04 1.0674857031e-02 9.8718750000e-01
5 -8.9169194433e-01 1.2228570592e+00 -2.0445837108e+00 1.1528917665e+00 5.7141430465e-01 -3.3294683351e+00 7.1347031963e-01 1.2800000000e+04 1.0678052363e-02 9.8707031250e-01
6 -8.7616947103e-01 1.5049442850e+00 -2.1113309698e+00 1.2351614988e+00 5.9861069419e-01 -3.4234119837e+00 7.1347031963e-01 1.2800000000e+04 1.0680431372e-02 9.8687500000e-01
7 -8.7307589014e-01 1.2204026253e+00 -2.0474543179e+00 1.1743784277e+00 5.7884900663e-01 -3.3397736441e+00 7.1347031963e-01 1.2800000000e+04 1.0674670361e-02 9.8824218750e-01
8 -9.2642071974e-01 1.3785716328e+00 -2.0514301496e+00 1.1250094299e+00 5.7537658722e-01 -3.3402770564e+00 7.1347031963e-01 1.2800000000e+04 1.0671413750e-02 9.8750000000e-01
9 -8.7751804233e-01 1.2415680151e+00 -2.0996017316e+00 1.2220836892e+00 6.0101278850e-01 -3.4140848397e+00 7.1347031963e-01 1.2800000000e+04 1.0696594282e-02 9.8816406250e-01
10 -9.3766026419e-01 2.1068979033e+00 -2.0408495108e+00 1.1031892466e+00 5.5082670623e-01 -3.3051465366e+00 7.1347031963e-01 1.2800000000e+04 1.0651680830e-02 9.8574218750e-01
11 -9.0423098990e-01 1.3216791992e+00 -2.0629676714e+00 1.1587366815e+00 5.7032645328e-01 -3.3467644443e+00 7.1347031963e-01 1.2800000000e+04 1.0664142241e-02 9.8671875000e-01
12 -8.8871901680e-01 1.4905039382e+00 -2.0489655492e+00 1.1602465324e+00 5.8315437296e-01 -3.3455902418e+00 7.1347031963e-01 1.2800000000e+04 1.0677958022e-02 9.8738281250e-01
13 -8.9728316771e-01 1.1894736205e+00 -2.0096577649e+00 1.1123745972e+00 5.6459838637e-01 -3.2877264709e+00 7.1347031963e-01 1.2800000000e+04 1.0681855376e-02 9.8699218750e-01
14 -8.9136070602e-01 1.6529763686e+00 -2.0296086999e+00 1.1382479939e+00 5.6508927070e-01 -3.3081682903e+00 7.1347031963e-01 1.2800000000e+04 1.0663028911e-02 9.8605468750e-01
15 -8.8963453891e-01 1.4042670875e+00 -2.0752474301e+00 1.1856128912e+00 5.9777382909e-01 -3.3864915788e+00 7.1347031963e-01 1.2800000000e+04 1.0653599863e-02 9.8695312500e-01
16 -9.3680100095e-01 1.3168096467e+00 -1.9727534473e+00 1.0359524463e+00 5.4209448788e-01 -3.2283182548e+00 7.1347031963e-01 1.2800000000e+04 1.0698503174e-02 9.8820312500e-01
17 -8.8402621511e-01 1.2132999122e+00 -1.9959303656e+00 1.1119041505e+00 5.1355028787e-01 -3.2229509731e+00 7.1347031963e-01 1.2800000000e+04 1.0684444771e-02 9.8812500000e-01
18 -9.1829602817e-01 1.7373759256e+00 -2.0256419757e+00 1.1073459475e+00 5.3186530280e-01 -3.2709775981e+00 7.1347031963e-01 1.2800000000e+04 1.0672558745e-02 9.8820312500e-01
19 -8.5717876886e-01 1.7936209577e+00 -1.9894800577e+00 1.1323012888e+00 5.5554750281e-01 -3.2584978801e+00 7.1347031963e-01 1.2800000000e+04 1.0671818286e-02 9.8589843750e-01
20 -9.0438850884e-01 1.2186536549e+00 -2.0190033894e+00 1.1146148805e+00 5.6818713269e-01 -3.3006608417e+00 7.1347031963e-01 1.2800000000e+04 1.0691190435e-02 9.8617187500e-01
21 -9.1102369858e-01 1.2432791045e+00 -1.9440676385e+00 1.0330439399e+00 5.4304994270e-01 -3.2005879008e+00 7.1347031963e-01 1.2800000000e+04 1.0677039766e-02 9.8812500000e-01
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444 -9.1603156287e-01 1.2459487710e+00 -2.0413617230e+00 1.1253301602e+00 5.6052938512e-01 -3.3153614278e+00 7.1347031963e-01 1.2800000000e+04 1.0670007441e-02 9.8699218750e-01
445 -8.9853665457e-01 1.2714182942e+00 -2.0087075649e+00 1.1101709103e+00 5.4970963782e-01 -3.2718875223e+00 7.1347031963e-01 1.2800000000e+04 1.0684917520e-02 9.8695312500e-01
446 -8.7262315022e-01 1.2017319712e+00 -2.0408957227e+00 1.1682725725e+00 5.6328862544e-01 -3.3176546678e+00 7.1347031963e-01 1.2800000000e+04 1.0679488320e-02 9.8750000000e-01
447 -9.4244119423e-01 2.0457087668e+00 -2.0714418944e+00 1.1290007002e+00 5.5949567909e-01 -3.3444078931e+00 7.1347031963e-01 1.2800000000e+04 1.0664538677e-02 9.8757812500e-01
448 -8.5246521454e-01 1.1941324630e+00 -2.0766834647e+00 1.2242182502e+00 5.7659603472e-01 -3.3667498191e+00 7.1347031963e-01 1.2800000000e+04 1.0672530869e-02 9.8796875000e-01
449 -8.7490138092e-01 2.0628493188e+00 -2.0228154179e+00 1.1479140370e+00 5.5674545428e-01 -3.2930311918e+00 7.1347031963e-01 1.2800000000e+04 1.0693933340e-02 9.8769531250e-01
450 -9.1898713990e-01 2.4810976504e+00 -2.0731998476e+00 1.1542127077e+00 5.3858961389e-01 -3.3252597811e+00 7.1347031963e-01 1.2800000000e+04 1.0675276650e-02 9.8734375000e-01
451 -9.1337075633e-01 1.5162544065e+00 -2.0661535050e+00 1.1527827487e+00 5.8090943081e-01 -3.3605332555e+00 7.1347031963e-01 1.2800000000e+04 1.0677977466e-02 9.8746093750e-01
452 -8.8248610799e-01 1.4552360001e+00 -1.9980082195e+00 1.1155221115e+00 5.4141966510e-01 -3.2528982042e+00 7.1347031963e-01 1.2800000000e+04 1.0688264629e-02 9.8648437500e-01
453 -9.1863395342e-01 1.3135463962e+00 -2.0132711296e+00 1.0946371762e+00 5.3874622179e-01 -3.2654876710e+00 7.1347031963e-01 1.2800000000e+04 1.0674250264e-02 9.8773437500e-01
454 -9.1490369914e-01 1.2302582686e+00 -2.0186362529e+00 1.1037325537e+00 5.6411218604e-01 -3.2962187586e+00 7.1347031963e-01 1.2800000000e+04 1.0675217588e-02 9.8761718750e-01
455 -8.8778455502e-01 1.3038034023e+00 -2.0389240356e+00 1.1511394806e+00 5.6152276858e-01 -3.3139171238e+00 7.1347031963e-01 1.2800000000e+04 1.0674801807e-02 9.8679687500e-01
456 -9.2522893767e-01 1.5675334111e+00 -2.0955470865e+00 1.1703181488e+00 5.5495317763e-01 -3.3639705838e+00 7.1347031963e-01 1.2800000000e+04 1.0672138105e-02 9.8539062500e-01
457 -9.2523588692e-01 1.3267873441e+00 -2.0083759690e+00 1.0831400821e+00 5.4015192506e-01 -3.2619982137e+00 7.1347031963e-01 1.2800000000e+04 1.0689836943e-02 9.8804687500e-01
458 -9.1339281407e-01 1.3102333778e+00 -2.0385237120e+00 1.1251308980e+00 5.6028579553e-01 -3.3122798272e+00 7.1347031963e-01 1.2800000000e+04 1.0671817417e-02 9.8769531250e-01
459 -8.8311199601e-01 1.2086479227e+00 -2.0340165653e+00 1.1509045693e+00 5.6551929607e-01 -3.3130061810e+00 7.1347031963e-01 1.2800000000e+04 1.0688924033e-02 9.8707031250e-01
460 -9.0552463392e-01 1.7856974892e+00 -2.0149553465e+00 1.1094307126e+00 5.5368380800e-01 -3.2821094741e+00 7.1347031963e-01 1.2800000000e+04 1.0665241948e-02 9.8726562500e-01
461 -8.8771316680e-01 1.6556840985e+00 -2.1112186419e+00 1.2235054751e+00 5.8639334746e-01 -3.4110823090e+00 7.1347031963e-01 1.2800000000e+04 1.0660141978e-02 9.8566406250e-01
462 -8.6923733337e-01 1.2042651093e+00 -2.1125790454e+00 1.2433417120e+00 5.8770642763e-01 -3.4137557926e+00 7.1347031963e-01 1.2800000000e+04 1.0665577495e-02 9.8664062500e-01
463 -9.2390707192e-01 1.4249129496e+00 -2.0761558477e+00 1.1522487758e+00 5.8101507639e-01 -3.3706412437e+00 7.1347031963e-01 1.2800000000e+04 1.0690050054e-02 9.8644531250e-01
464 -9.2186500094e-01 1.4370432040e+00 -2.1025756580e+00 1.1807106570e+00 5.7821391884e-01 -3.3942598965e+00 7.1347031963e-01 1.2800000000e+04 1.0677751035e-02 9.8718750000e-01
465 -9.1856878104e-01 1.2848425870e+00 -2.0333055369e+00 1.1147367559e+00 5.7315639675e-01 -3.3199322533e+00 7.1347031963e-01 1.2800000000e+04 1.0672621758e-02 9.8687500000e-01
466 -8.8738799188e-01 1.8112563175e+00 -2.0424677661e+00 1.1550797742e+00 5.7681695295e-01 -3.3327550387e+00 7.1347031963e-01 1.2800000000e+04 1.0684805737e-02 9.8687500000e-01
467 -8.6430711514e-01 1.1522421822e+00 -2.0536603290e+00 1.1893532139e+00 5.6809904370e-01 -3.3352296923e+00 7.1347031963e-01 1.2800000000e+04 1.0643898008e-02 9.8480468750e-01
468 -8.7946098750e-01 1.1797118160e+00 -1.9565533336e+00 1.0770923461e+00 5.2971060342e-01 -3.1997342566e+00 7.1347031963e-01 1.2800000000e+04 1.0681061074e-02 9.8804687500e-01
469 -9.4240144753e-01 1.7551516268e+00 -2.0730425667e+00 1.1306411191e+00 5.6710481031e-01 -3.3536176966e+00 7.1347031963e-01 1.2800000000e+04 1.0664022090e-02 9.8667968750e-01
470 -8.7252881263e-01 1.2318952721e+00 -2.1021034843e+00 1.2295746716e+00 5.6846097472e-01 -3.3840347786e+00 7.1347031963e-01 1.2800000000e+04 1.0684808013e-02 9.8574218750e-01
471 -8.7082331841e-01 1.1241774052e+00 -1.9453693034e+00 1.0745459850e+00 5.5372827718e-01 -3.2125679002e+00 7.1347031963e-01 1.2800000000e+04 1.0676705918e-02 9.8828125000e-01
472 -8.8932980880e-01 1.2306415991e+00 -2.0450426564e+00 1.1557128476e+00 5.6100537483e-01 -3.3195183509e+00 7.1347031963e-01 1.2800000000e+04 1.0672067334e-02 9.8714843750e-01
473 -8.9679062306e-01 1.5735094509e+00 -2.0339932350e+00 1.1372026120e+00 5.7339303278e-01 -3.3208565874e+00 7.1347031963e-01 1.2800000000e+04 1.0694706719e-02 9.8875000000e-01
474 -9.0202083268e-01 1.2429703057e+00 -2.0298979017e+00 1.1278770691e+00 5.8603849881e-01 -3.3294067202e+00 7.1347031963e-01 1.2800000000e+04 1.0691410586e-02 9.8816406250e-01
475 -9.0166839094e-01 1.2616606799e+00 -2.0615033083e+00 1.1598349173e+00 5.7184509410e-01 -3.3468187220e+00 7.1347031963e-01 1.2800000000e+04 1.0666591484e-02 9.8703125000e-01
476 -8.8284220211e-01 1.1934523675e+00 -2.0595104440e+00 1.1766682419e+00 5.7817158405e-01 -3.3511523477e+00 7.1347031963e-01 1.2800000000e+04 1.0696173276e-02 9.8781250000e-01
477 -8.9908876854e-01 1.3517820440e+00 -2.0676203078e+00 1.1685315392e+00 5.7798069440e-01 -3.3590713218e+00 7.1347031963e-01 1.2800000000e+04 1.0702218008e-02 9.8734375000e-01
478 -8.9433644673e-01 1.2803485496e+00 -2.1088134792e+00 1.2144770324e+00 5.8718077940e-01 -3.4094645782e+00 7.1347031963e-01 1.2800000000e+04 1.0662235088e-02 9.8667968750e-01
479 -9.1471259638e-01 1.2856691177e+00 -2.0418278080e+00 1.1271152116e+00 5.7864640270e-01 -3.3339445303e+00 7.1347031963e-01 1.2800000000e+04 1.0683096162e-02 9.8765625000e-01
480 -9.6206122486e-01 1.4512075267e+00 -2.0008688958e+00 1.0388076709e+00 5.4543036373e-01 -3.2597695792e+00 7.1347031963e-01 1.2800000000e+04 1.0687729731e-02 9.8878906250e-01
481 -8.8807280908e-01 1.2664795039e+00 -2.0727424881e+00 1.1846696790e+00 5.6330170829e-01 -3.3495145160e+00 7.1347031963e-01 1.2800000000e+04 1.0691215288e-02 9.8644531250e-01
482 -8.8855312119e-01 1.4803381545e+00 -1.9916844450e+00 1.1031313238e+00 5.5383040183e-01 -3.2589851664e+00 7.1347031963e-01 1.2800000000e+04 1.0685012539e-02 9.8765625000e-01
483 -9.4764919309e-01 1.3500192496e+00 -1.9649486240e+00 1.0172994309e+00 5.4632162859e-01 -3.2247405722e+00 7.1347031963e-01 1.2800000000e+04 1.0697656465e-02 9.8898437500e-01
484 -8.9802857484e-01 1.2394502582e+00 -2.0784811116e+00 1.1804525368e+00 5.6765837640e-01 -3.3596098077e+00 7.1347031963e-01 1.2800000000e+04 1.0686775308e-02 9.8570312500e-01
485 -9.4685966113e-01 3.6307942124e+00 -2.1979706839e+00 1.2511110228e+00 5.7070431677e-01 -3.4821453203e+00 7.1347031963e-01 1.2800000000e+04 1.0676122104e-02 9.8703125000e-01
486 -9.3282569656e-01 1.3903266046e+00 -2.0497640761e+00 1.1169383795e+00 5.6492640547e-01 -3.3281608012e+00 7.1347031963e-01 1.2800000000e+04 1.0687700420e-02 9.8746093750e-01
487 -8.7641366211e-01 1.1956432755e+00 -2.0586932920e+00 1.1822796299e+00 5.4817674249e-01 -3.3203403541e+00 7.1347031963e-01 1.2800000000e+04 1.0682280654e-02 9.8722656250e-01
488 -8.9217137698e-01 1.6360544204e+00 -2.0499587275e+00 1.1577873505e+00 5.8761809534e-01 -3.3510471424e+00 7.1347031963e-01 1.2800000000e+04 1.0680880308e-02 9.8632812500e-01
489 -8.9388456993e-01 1.3033823648e+00 -2.0410575432e+00 1.1471729733e+00 5.6204993951e-01 -3.3165778023e+00 7.1347031963e-01 1.2800000000e+04 1.0674911309e-02 9.8750000000e-01
490 -8.9371645946e-01 1.2267067995e+00 -2.0705783014e+00 1.1768618420e+00 5.5900511949e-01 -3.3430537405e+00 7.1347031963e-01 1.2800000000e+04 1.0680503491e-02 9.8722656250e-01
491 -8.8724406014e-01 1.2017341555e+00 -2.0103693224e+00 1.1231252623e+00 5.6773739861e-01 -3.2915770407e+00 7.1347031963e-01 1.2800000000e+04 1.0684630166e-02 9.8632812500e-01
492 -8.9291888863e-01 1.2989948408e+00 -2.0820718779e+00 1.1891529893e+00 5.6734609474e-01 -3.3628882923e+00 7.1347031963e-01 1.2800000000e+04 1.0665022754e-02 9.8601562500e-01
493 -9.2230344768e-01 1.3698287989e+00 -2.0159220947e+00 1.0936186471e+00 5.5220183174e-01 -3.2815942461e+00 7.1347031963e-01 1.2800000000e+04 1.0681052197e-02 9.8699218750e-01
494 -8.8095770906e-01 1.1659963120e+00 -2.0279908892e+00 1.1470331801e+00 5.4936801726e-01 -3.2908292261e+00 7.1347031963e-01 1.2800000000e+04 1.0668072822e-02 9.8636718750e-01
495 -9.0466446588e-01 1.2538349268e+00 -2.0438670627e+00 1.1392025968e+00 5.6485193768e-01 -3.3221893200e+00 7.1347031963e-01 1.2800000000e+04 1.0694835850e-02 9.8656250000e-01
496 -8.9487090437e-01 1.4132629608e+00 -2.0189416881e+00 1.1240707838e+00 5.5640307629e-01 -3.2888150841e+00 7.1347031963e-01 1.2800000000e+04 1.0681006616e-02 9.8808593750e-01
497 -9.0530823999e-01 1.7437770342e+00 -2.1115741160e+00 1.2062658760e+00 5.8136277325e-01 -3.4064072088e+00 7.1347031963e-01 1.2800000000e+04 1.0665420542e-02 9.8644531250e-01
498 -8.9434728128e-01 1.3031731955e+00 -2.0419459244e+00 1.1475986432e+00 5.7492831211e-01 -3.3303445562e+00 7.1347031963e-01 1.2800000000e+04 1.0708087197e-02 9.8750000000e-01
499 -9.1634280678e-01 1.2545398997e+00 -2.0712350137e+00 1.1548922069e+00 5.7833163057e-01 -3.3630369639e+00 7.1347031963e-01 1.2800000000e+04 1.0668340713e-02 9.8777343750e-01

38
labs/lab1_qmc_statistics/fulltree.sh Executable file
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@ -0,0 +1,38 @@
#!/bin/sh
#############################################
# Script that displays a recursive formatted folder and file listing
# @author Corbin
# @site iamcorbin.net
#Folder Seperator
BREAK='-------------------------------------------------------------------------------------'
#Optional: if a folder is passed as an argument, run fulltree on that folder rather than the current folder
if [ "$1" != "" ]
then cd "$1"
fi
pwd
## Recursive Directory Listing with files
# 1- preserve directories from being removed in 2 & 3
# 2- strip first 4 columns
# 3- strip size and date
# 4- prepend ' -- ' on each line
# 5- remove ' -- ' from directories
# 6- remove extra lines
# 7- Insert a line break after directories
# 8- Put a | at the beginning of all lines
# 9- Indent and process 1st level sub dirs
#10- Indent and process 2nd level sub dirs
ls -Rhl | sed \
-e 's/^\.\//x x x x 00:00 |-/' \
-e 's/^\([^\ ]*.\)\{4\}//' \
-e 's/.*[0-9]\{2\}:[0-9]\{2\}//' \
-e 's/^/ -- /' \
-e 's/\ \ --\ \ |-//' \
-e '/--\ $/ d' \
-e '/^[^ ]/ i\'$BREAK \
-e 's/^/| /' \
| sed -e '/[^/]*\//,/'$BREAK'/ s/^|/\t&/' -e '/^\t/,/'$BREAK'/ s/'$BREAK'/\t&/' -e 's/[^/]*\//\t\| /' \
| sed -e '/[^/]*\//,/'$BREAK'/ s/^\t|/\t&/' -e '/^\t\t/,/'$BREAK'/ s/'$BREAK'/\t&/' -e 's/[^/]*\//\t\t\| /' \
| sed -e '/[^/]*\//,/'$BREAK'/ s/^\t\t/\t&/' -e 's/[^/]*\//\t\t\t\| /'
echo $BREAK

3
labs/lab1_qmc_statistics/nodes/H.dat Normal file
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@ -0,0 +1,3 @@
32 H series 0 -0.453181 +/- 0.003923 0.500575 +/- 0.017852 1.1046
128 H series 1 -0.455705 +/- 0.002809 0.487435 +/- 0.009406 1.0696
512 H series 2 -0.453837 +/- 0.000869 0.518392 +/- 0.006916 1.1422

11
labs/lab1_qmc_statistics/nodes/H.plt Normal file
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@ -0,0 +1,11 @@
#set terminal png size 400,300
#set output 'nnode_vs_energy_H_STO-2G.png'
unset key
set xlabel "Number of nodes"
set logscale x
set yrange [-0.465:-0.445]
set ytics -0.464,0.002,-0.446
set ylabel "E_total (Ha)"
plot[10:1000] "H.dat" using 1:5:7 with errorbars
pause -1

501
labs/lab1_qmc_statistics/nodes/H.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -3.3597347441e-01 1.2247814891e+00 -1.4720304251e+00 1.1360569507e+00 -1.4720304251e+00 1.2800000000e+04 5.9448883496e-03 9.9992187500e-01
1 -3.5350067487e-01 5.4352970171e-01 -1.4346454754e+00 1.0811448005e+00 -1.4346454754e+00 1.2800000000e+04 6.0821225391e-03 1.0000000000e+00
2 -3.0753570706e-01 4.6701229493e-01 -1.4363692044e+00 1.1288334973e+00 -1.4363692044e+00 1.2800000000e+04 6.0318188770e-03 9.9992187500e-01
3 -2.8825647461e-01 2.9697225265e-01 -1.3879477980e+00 1.0996913234e+00 -1.3879477980e+00 1.2800000000e+04 6.0273365332e-03 9.9992187500e-01
4 -3.5689165478e-01 6.2486855704e-01 -1.4107867285e+00 1.0538950738e+00 -1.4107867285e+00 1.2800000000e+04 6.0152581689e-03 9.9984375000e-01
5 -3.5320025079e-01 4.6177599316e-01 -1.3479772800e+00 9.9477702921e-01 -1.3479772800e+00 1.2800000000e+04 6.0208952393e-03 9.9992187500e-01
6 -3.7183640917e-01 3.6615110308e-01 -1.2361189547e+00 8.6428254550e-01 -1.2361189547e+00 1.2800000000e+04 6.0200792334e-03 9.9984375000e-01
7 -4.5710287956e-01 6.6026360826e-01 -1.2096161179e+00 7.5251323835e-01 -1.2096161179e+00 1.2800000000e+04 6.0289142334e-03 9.9992187500e-01
8 -4.3237041911e-01 5.2180423741e-01 -1.2136726747e+00 7.8130225558e-01 -1.2136726747e+00 1.2800000000e+04 6.0352975635e-03 1.0000000000e+00
9 -4.3668821912e-01 5.1002595996e-01 -1.2272036265e+00 7.9051540734e-01 -1.2272036265e+00 1.2800000000e+04 6.0078983252e-03 1.0000000000e+00
10 -4.4248085588e-01 5.7663623632e-01 -1.2083501625e+00 7.6586930659e-01 -1.2083501625e+00 1.2800000000e+04 6.0188567773e-03 9.9992187500e-01
11 -4.2921023662e-01 4.1279743630e-01 -1.2046509069e+00 7.7544067030e-01 -1.2046509069e+00 1.2800000000e+04 6.0289599268e-03 1.0000000000e+00
12 -3.9924260954e-01 6.0786210613e-01 -1.2448661388e+00 8.4562352924e-01 -1.2448661388e+00 1.2800000000e+04 6.0302199707e-03 1.0000000000e+00
13 -3.3653693984e-01 3.1251957722e-01 -1.1935617955e+00 8.5702485570e-01 -1.1935617955e+00 1.2800000000e+04 6.0252189551e-03 9.9984375000e-01
14 -4.0812333776e-01 5.3858994110e-01 -1.2843861934e+00 8.7626285561e-01 -1.2843861934e+00 1.2800000000e+04 6.0035323291e-03 9.9984375000e-01
15 -4.4728284268e-01 6.6923496006e-01 -1.3014184472e+00 8.5413560451e-01 -1.3014184472e+00 1.2800000000e+04 6.0306581934e-03 1.0000000000e+00
16 -4.4445822245e-01 8.9166138071e-01 -1.2828446488e+00 8.3838642640e-01 -1.2828446488e+00 1.2800000000e+04 6.0162257666e-03 1.0000000000e+00
17 -4.6660577740e-01 6.2176025976e-01 -1.3224228242e+00 8.5581704683e-01 -1.3224228242e+00 1.2800000000e+04 6.0225631152e-03 1.0000000000e+00
18 -4.9837705426e-01 8.1377124663e-01 -1.3539113723e+00 8.5553431802e-01 -1.3539113723e+00 1.2800000000e+04 6.0302014160e-03 1.0000000000e+00
19 -4.5453872522e-01 8.5926471888e-01 -1.2901818406e+00 8.3564311541e-01 -1.2901818406e+00 1.2800000000e+04 6.0052110645e-03 9.9992187500e-01
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438 -5.2265005754e-01 1.0789550386e+00 -1.3254794973e+00 8.0282943980e-01 -1.3254794973e+00 1.2800000000e+04 6.0320993652e-03 1.0000000000e+00
439 -4.4615124643e-01 7.3852981408e-01 -1.2589527966e+00 8.1280155013e-01 -1.2589527966e+00 1.2800000000e+04 6.0375314209e-03 9.9992187500e-01
440 -4.1050969734e-01 5.6440628561e-01 -1.1520366463e+00 7.4152694896e-01 -1.1520366463e+00 1.2800000000e+04 6.0335653809e-03 1.0000000000e+00
441 -4.6200472973e-01 1.3236638997e+00 -1.2397793162e+00 7.7777458645e-01 -1.2397793162e+00 1.2800000000e+04 6.0150024561e-03 9.9992187500e-01
442 -4.4814661503e-01 5.6412898665e-01 -1.1819814669e+00 7.3383485188e-01 -1.1819814669e+00 1.2800000000e+04 6.0367202783e-03 1.0000000000e+00
443 -4.8058426919e-01 7.0408410113e-01 -1.2236938600e+00 7.4310959077e-01 -1.2236938600e+00 1.2800000000e+04 6.0236746680e-03 1.0000000000e+00
444 -4.5623572770e-01 4.3909299401e-01 -1.1095387243e+00 6.5330299665e-01 -1.1095387243e+00 1.2800000000e+04 6.0281907227e-03 1.0000000000e+00
445 -4.3335244946e-01 6.5335605232e-01 -1.1727638034e+00 7.3941135391e-01 -1.1727638034e+00 1.2800000000e+04 6.0315953906e-03 1.0000000000e+00
446 -3.8791979484e-01 5.1647812693e-01 -1.1845354472e+00 7.9661565241e-01 -1.1845354472e+00 1.2800000000e+04 6.0201602051e-03 9.9992187500e-01
447 -4.3027520473e-01 8.0389466060e-01 -1.2228541029e+00 7.9257889815e-01 -1.2228541029e+00 1.2800000000e+04 6.0327420557e-03 9.9992187500e-01
448 -4.4649798341e-01 5.5906031945e-01 -1.2185032275e+00 7.7200524410e-01 -1.2185032275e+00 1.2800000000e+04 6.0322367676e-03 1.0000000000e+00
449 -4.6879582082e-01 7.8307110697e-01 -1.1835686580e+00 7.1477283720e-01 -1.1835686580e+00 1.2800000000e+04 6.0247588770e-03 1.0000000000e+00
450 -4.1550156928e-01 4.0802389475e-01 -1.1351881049e+00 7.1968653557e-01 -1.1351881049e+00 1.2800000000e+04 6.0271077637e-03 1.0000000000e+00
451 -4.4727857272e-01 6.5752834836e-01 -1.2582829436e+00 8.1100437092e-01 -1.2582829436e+00 1.2800000000e+04 6.0095304443e-03 1.0000000000e+00
452 -4.7645218894e-01 5.6887547502e-01 -1.2912623901e+00 8.1481020115e-01 -1.2912623901e+00 1.2800000000e+04 6.0390351172e-03 1.0000000000e+00
453 -4.8347996923e-01 1.0660943599e+00 -1.2431782797e+00 7.5969831049e-01 -1.2431782797e+00 1.2800000000e+04 6.0253760156e-03 9.9992187500e-01
454 -4.2178463477e-01 4.5217727295e-01 -1.1989850661e+00 7.7720043135e-01 -1.1989850661e+00 1.2800000000e+04 6.0273942285e-03 1.0000000000e+00
455 -3.9138977182e-01 5.1251863515e-01 -1.1994785891e+00 8.0808881725e-01 -1.1994785891e+00 1.2800000000e+04 6.0227863135e-03 9.9992187500e-01
456 -4.5020250409e-01 1.2213522373e+00 -1.3181640935e+00 8.6796158944e-01 -1.3181640935e+00 1.2800000000e+04 6.0178237500e-03 9.9992187500e-01
457 -4.6090457039e-01 1.0258318947e+00 -1.3693080227e+00 9.0840345232e-01 -1.3693080227e+00 1.2800000000e+04 6.0260437109e-03 1.0000000000e+00
458 -4.6836558608e-01 9.6883991661e-01 -1.3593517143e+00 8.9098612826e-01 -1.3593517143e+00 1.2800000000e+04 6.0292542285e-03 1.0000000000e+00
459 -4.4342262113e-01 5.4101200163e-01 -1.1918731469e+00 7.4845052581e-01 -1.1918731469e+00 1.2800000000e+04 6.0295374561e-03 9.9992187500e-01
460 -4.2067522807e-01 4.4549330746e-01 -1.2303815546e+00 8.0970632655e-01 -1.2303815546e+00 1.2800000000e+04 6.0351791504e-03 1.0000000000e+00
461 -3.7405934595e-01 4.0723943802e-01 -1.2835239092e+00 9.0946456324e-01 -1.2835239092e+00 1.2800000000e+04 6.0314968506e-03 1.0000000000e+00
462 -4.0923306433e-01 6.1755974055e-01 -1.3188294866e+00 9.0959642227e-01 -1.3188294866e+00 1.2800000000e+04 6.0177583936e-03 1.0000000000e+00
463 -3.9657784869e-01 4.3994025248e-01 -1.3182672027e+00 9.2168935399e-01 -1.3182672027e+00 1.2800000000e+04 6.0343190771e-03 1.0000000000e+00
464 -4.0580155268e-01 1.1128163180e+00 -1.2970916838e+00 8.9129013112e-01 -1.2970916838e+00 1.2800000000e+04 6.0348811963e-03 9.9992187500e-01
465 -4.3977888177e-01 6.3290892894e-01 -1.3530534131e+00 9.1327453130e-01 -1.3530534131e+00 1.2800000000e+04 6.0231914355e-03 1.0000000000e+00
466 -3.7683002892e-01 5.1339458289e-01 -1.3186472216e+00 9.4181719272e-01 -1.3186472216e+00 1.2800000000e+04 6.0274977979e-03 9.9992187500e-01
467 -3.5274059052e-01 5.8254119691e-01 -1.2505345952e+00 8.9779400469e-01 -1.2505345952e+00 1.2800000000e+04 6.0130346631e-03 9.9992187500e-01
468 -4.1459182178e-01 5.2828286441e-01 -1.2300815145e+00 8.1548969270e-01 -1.2300815145e+00 1.2800000000e+04 6.0366407031e-03 1.0000000000e+00
469 -4.9908408124e-01 1.0428498274e+00 -1.2514470011e+00 7.5236291985e-01 -1.2514470011e+00 1.2800000000e+04 6.0320999219e-03 9.9984375000e-01
470 -5.1984281851e-01 1.0093799626e+00 -1.1818817466e+00 6.6203892805e-01 -1.1818817466e+00 1.2800000000e+04 6.0379178906e-03 1.0000000000e+00
471 -5.1746482293e-01 7.2727125689e-01 -1.1697419710e+00 6.5227714811e-01 -1.1697419710e+00 1.2800000000e+04 6.0225218750e-03 9.9984375000e-01
472 -5.0571464736e-01 6.1473932886e-01 -1.1663898547e+00 6.6067520731e-01 -1.1663898547e+00 1.2800000000e+04 6.0132287549e-03 1.0000000000e+00
473 -5.2377324491e-01 1.0726002365e+00 -1.1465503524e+00 6.2277710751e-01 -1.1465503524e+00 1.2800000000e+04 6.0217983057e-03 9.9992187500e-01
474 -4.5484220092e-01 5.2637515470e-01 -1.1001142209e+00 6.4527201995e-01 -1.1001142209e+00 1.2800000000e+04 6.0257796143e-03 1.0000000000e+00
475 -4.6967104301e-01 7.4420675304e-01 -1.1856510589e+00 7.1598001592e-01 -1.1856510589e+00 1.2800000000e+04 6.0258421484e-03 1.0000000000e+00
476 -4.4911468243e-01 5.1633102361e-01 -1.1499791441e+00 7.0086446169e-01 -1.1499791441e+00 1.2800000000e+04 6.0234944482e-03 9.9992187500e-01
477 -4.9721773696e-01 7.1425536124e-01 -1.1683422902e+00 6.7112455328e-01 -1.1683422902e+00 1.2800000000e+04 6.0137918408e-03 1.0000000000e+00
478 -4.9151781684e-01 4.9274171376e-01 -1.1646441403e+00 6.7312632344e-01 -1.1646441403e+00 1.2800000000e+04 6.0290867627e-03 1.0000000000e+00
479 -4.8934557049e-01 6.1787765233e-01 -1.1814476522e+00 6.9210208171e-01 -1.1814476522e+00 1.2800000000e+04 6.0317687305e-03 1.0000000000e+00
480 -4.8672939858e-01 1.6270142759e+00 -1.2064238610e+00 7.1969446241e-01 -1.2064238610e+00 1.2800000000e+04 6.0278915918e-03 9.9992187500e-01
481 -4.9328984956e-01 7.4601517311e-01 -1.2025000499e+00 7.0921020033e-01 -1.2025000499e+00 1.2800000000e+04 6.0277415381e-03 9.9992187500e-01
482 -4.5023522509e-01 6.8375182021e-01 -1.2006856052e+00 7.5045038015e-01 -1.2006856052e+00 1.2800000000e+04 6.0068858154e-03 9.9984375000e-01
483 -4.3288909583e-01 4.1332745363e-01 -1.1408503165e+00 7.0796122064e-01 -1.1408503165e+00 1.2800000000e+04 6.0340371777e-03 1.0000000000e+00
484 -4.9015715009e-01 5.3328490125e-01 -1.1434729950e+00 6.5331584495e-01 -1.1434729950e+00 1.2800000000e+04 6.0273188525e-03 9.9992187500e-01
485 -4.7258525240e-01 4.7854532505e-01 -1.1903228524e+00 7.1773760005e-01 -1.1903228524e+00 1.2800000000e+04 6.0306669824e-03 9.9992187500e-01
486 -4.5937388520e-01 6.7153382664e-01 -1.2065898520e+00 7.4721596681e-01 -1.2065898520e+00 1.2800000000e+04 6.0247143994e-03 1.0000000000e+00
487 -4.4799312544e-01 4.8328522257e-01 -1.1595304429e+00 7.1153731749e-01 -1.1595304429e+00 1.2800000000e+04 6.0128649170e-03 1.0000000000e+00
488 -4.8317931819e-01 5.8471478703e-01 -1.1462636245e+00 6.6308430631e-01 -1.1462636245e+00 1.2800000000e+04 6.0323037158e-03 9.9992187500e-01
489 -5.0700847055e-01 8.3312558575e-01 -1.1997738125e+00 6.9276534195e-01 -1.1997738125e+00 1.2800000000e+04 6.0250954834e-03 9.9984375000e-01
490 -5.3267159158e-01 1.1550963232e+00 -1.2059483813e+00 6.7327678975e-01 -1.2059483813e+00 1.2800000000e+04 6.0303440869e-03 1.0000000000e+00
491 -5.3648996280e-01 1.3781182583e+00 -1.1282972921e+00 5.9180732933e-01 -1.1282972921e+00 1.2800000000e+04 6.0216163379e-03 9.9992187500e-01
492 -5.2396629221e-01 6.6480058667e-01 -1.1259853964e+00 6.0201910421e-01 -1.1259853964e+00 1.2800000000e+04 6.0138728271e-03 9.9992187500e-01
493 -4.5183204925e-01 4.7543632001e-01 -1.1091558338e+00 6.5732378454e-01 -1.1091558338e+00 1.2800000000e+04 6.0303183398e-03 9.9992187500e-01
494 -4.5577430653e-01 4.6296069633e-01 -1.0731944660e+00 6.1742015943e-01 -1.0731944660e+00 1.2800000000e+04 6.0227758057e-03 1.0000000000e+00
495 -5.5186210870e-01 1.1810517101e+00 -1.1868890048e+00 6.3502689609e-01 -1.1868890048e+00 1.2800000000e+04 6.0270552783e-03 1.0000000000e+00
496 -4.4629299299e-01 4.7491177379e-01 -1.0730198466e+00 6.2672685362e-01 -1.0730198466e+00 1.2800000000e+04 6.0234948389e-03 1.0000000000e+00
497 -4.4687076104e-01 3.6983966069e-01 -1.0340242486e+00 5.8715348760e-01 -1.0340242486e+00 1.2800000000e+04 6.0114136572e-03 1.0000000000e+00
498 -4.3838914170e-01 3.5270988570e-01 -1.0574050821e+00 6.1901594043e-01 -1.0574050821e+00 1.2800000000e+04 6.0298967725e-03 1.0000000000e+00
499 -4.2523269720e-01 7.0729485296e-01 -1.0848975391e+00 6.5966484188e-01 -1.0848975391e+00 1.2800000000e+04 6.0242424756e-03 9.9984375000e-01

501
labs/lab1_qmc_statistics/nodes/H.s001.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -3.3783803379e-01 9.0403229563e-01 -1.4235977979e+00 1.0857597641e+00 -1.4235977979e+00 5.1200000000e+04 5.5912221423e-03 9.9992187500e-01
1 -3.8076821677e-01 7.8254130809e-01 -1.4059586181e+00 1.0251904013e+00 -1.4059586181e+00 5.1200000000e+04 5.6384457300e-03 9.9992187500e-01
2 -3.9207492682e-01 8.4900099736e-01 -1.3920453293e+00 9.9997040245e-01 -1.3920453293e+00 5.1200000000e+04 5.6228436450e-03 9.9996093750e-01
3 -3.8517031437e-01 6.4138691701e-01 -1.3691274445e+00 9.8395713009e-01 -1.3691274445e+00 5.1200000000e+04 5.6224941846e-03 1.0000000000e+00
4 -4.3396567309e-01 1.1938536830e+00 -1.4032056868e+00 9.6924001370e-01 -1.4032056868e+00 5.1200000000e+04 5.6008800964e-03 9.9998046875e-01
5 -4.2254686103e-01 1.0335547998e+00 -1.3541527509e+00 9.3160588988e-01 -1.3541527509e+00 5.1200000000e+04 5.6191252454e-03 9.9996093750e-01
6 -4.1811521735e-01 6.8380866546e-01 -1.3432832846e+00 9.2516806721e-01 -1.3432832846e+00 5.1200000000e+04 5.6235667847e-03 9.9998046875e-01
7 -4.2282989770e-01 6.3056988099e-01 -1.3083021131e+00 8.8547221538e-01 -1.3083021131e+00 5.1200000000e+04 5.6187962451e-03 9.9994140625e-01
8 -4.7343544398e-01 1.1533364682e+00 -1.3368132270e+00 8.6337778306e-01 -1.3368132270e+00 5.1200000000e+04 5.6236138330e-03 9.9998046875e-01
9 -4.5019604843e-01 8.3451111231e-01 -1.3180337547e+00 8.6783770630e-01 -1.3180337547e+00 5.1200000000e+04 5.5983313940e-03 9.9988281250e-01
10 -4.4820162210e-01 9.4909449092e-01 -1.3368634391e+00 8.8866181704e-01 -1.3368634391e+00 5.1200000000e+04 5.6175344800e-03 9.9998046875e-01
11 -4.0753562131e-01 5.6331701185e-01 -1.2987773833e+00 8.9124176203e-01 -1.2987773833e+00 5.1200000000e+04 5.6222282764e-03 9.9996093750e-01
12 -4.2591078747e-01 9.0910929204e-01 -1.3022230037e+00 8.7631221624e-01 -1.3022230037e+00 5.1200000000e+04 5.6218978650e-03 9.9998046875e-01
13 -4.2328345707e-01 7.5109048043e-01 -1.3091593776e+00 8.8587592051e-01 -1.3091593776e+00 5.1200000000e+04 5.6223557361e-03 1.0000000000e+00
14 -4.5085005370e-01 8.5140656580e-01 -1.2863057903e+00 8.3545573656e-01 -1.2863057903e+00 5.1200000000e+04 5.6017147644e-03 9.9998046875e-01
15 -4.1648955036e-01 5.3384070624e-01 -1.2400678574e+00 8.2357830702e-01 -1.2400678574e+00 5.1200000000e+04 5.6204045251e-03 9.9996093750e-01
16 -4.3868105644e-01 6.1675063115e-01 -1.2327882745e+00 7.9410721807e-01 -1.2327882745e+00 5.1200000000e+04 5.6187739185e-03 9.9988281250e-01
17 -4.4814170653e-01 6.7813035320e-01 -1.2289897621e+00 7.8084805560e-01 -1.2289897621e+00 5.1200000000e+04 5.6179235925e-03 9.9998046875e-01
18 -4.2823397939e-01 5.9825908661e-01 -1.1833561669e+00 7.5512218754e-01 -1.1833561669e+00 5.1200000000e+04 5.6206166016e-03 1.0000000000e+00
19 -4.7113274629e-01 9.1660988166e-01 -1.2240685349e+00 7.5293578865e-01 -1.2240685349e+00 5.1200000000e+04 5.6018911621e-03 9.9998046875e-01
20 -4.5543022073e-01 8.6669107175e-01 -1.2429463434e+00 7.8751612264e-01 -1.2429463434e+00 5.1200000000e+04 5.6215091333e-03 9.9996093750e-01
21 -4.4249475436e-01 6.4253462487e-01 -1.2452057497e+00 8.0271099531e-01 -1.2452057497e+00 5.1200000000e+04 5.6223099219e-03 9.9994140625e-01
22 -4.9095362041e-01 9.3048986229e-01 -1.2914972673e+00 8.0054364693e-01 -1.2914972673e+00 5.1200000000e+04 5.6188153149e-03 9.9998046875e-01
23 -4.6429109196e-01 7.1207511689e-01 -1.2204733084e+00 7.5618221647e-01 -1.2204733084e+00 5.1200000000e+04 5.6200311584e-03 9.9998046875e-01
24 -4.5114877080e-01 6.0294635230e-01 -1.2119572780e+00 7.6080850720e-01 -1.2119572780e+00 5.1200000000e+04 5.6064141760e-03 9.9996093750e-01
25 -4.6043612153e-01 6.8302077335e-01 -1.2062905026e+00 7.4585438109e-01 -1.2062905026e+00 5.1200000000e+04 5.6192257361e-03 9.9996093750e-01
26 -4.3566274288e-01 4.9550917001e-01 -1.1749455509e+00 7.3928280806e-01 -1.1749455509e+00 5.1200000000e+04 5.6234057629e-03 9.9994140625e-01
27 -4.6156667488e-01 8.7779312983e-01 -1.1944146655e+00 7.3284799059e-01 -1.1944146655e+00 5.1200000000e+04 5.6230012073e-03 9.9992187500e-01
28 -4.8372044465e-01 8.2909995582e-01 -1.2035668174e+00 7.1984637273e-01 -1.2035668174e+00 5.1200000000e+04 5.6221131018e-03 9.9996093750e-01
29 -4.5280618139e-01 7.1276308627e-01 -1.1744647651e+00 7.2165858369e-01 -1.1744647651e+00 5.1200000000e+04 5.6016753076e-03 9.9992187500e-01
30 -4.3878788668e-01 6.0481213009e-01 -1.1632550622e+00 7.2446717549e-01 -1.1632550622e+00 5.1200000000e+04 5.6230486401e-03 9.9986328125e-01
31 -4.5352632967e-01 5.8946486713e-01 -1.1759427426e+00 7.2241641297e-01 -1.1759427426e+00 5.1200000000e+04 5.6212451733e-03 9.9994140625e-01
32 -4.2393629495e-01 4.4689438802e-01 -1.1236184635e+00 6.9968216855e-01 -1.1236184635e+00 5.1200000000e+04 5.6189481567e-03 1.0000000000e+00
33 -4.5828951652e-01 6.2782328884e-01 -1.1379979574e+00 6.7970844088e-01 -1.1379979574e+00 5.1200000000e+04 5.6233285303e-03 9.9998046875e-01
34 -4.8096481983e-01 7.7736606604e-01 -1.1069688200e+00 6.2600400014e-01 -1.1069688200e+00 5.1200000000e+04 5.5992528381e-03 9.9998046875e-01
35 -4.6598262833e-01 5.2925633299e-01 -1.1329646793e+00 6.6698205098e-01 -1.1329646793e+00 5.1200000000e+04 5.6183813025e-03 9.9996093750e-01
36 -4.7542555514e-01 8.2405941840e-01 -1.1875936588e+00 7.1216810370e-01 -1.1875936588e+00 5.1200000000e+04 5.6236448950e-03 9.9992187500e-01
37 -4.9433116734e-01 7.7141413304e-01 -1.2319832427e+00 7.3765207535e-01 -1.2319832427e+00 5.1200000000e+04 5.6214761548e-03 9.9994140625e-01
38 -4.8564301070e-01 7.6403850707e-01 -1.2509108039e+00 7.6526779321e-01 -1.2509108039e+00 5.1200000000e+04 5.6250979590e-03 9.9998046875e-01
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451 -4.6867915430e-01 7.0292518943e-01 -1.2389545898e+00 7.7027543549e-01 -1.2389545898e+00 5.1200000000e+04 5.6047711536e-03 9.9992187500e-01
452 -4.7822397960e-01 8.3807233561e-01 -1.2274777519e+00 7.4925377227e-01 -1.2274777519e+00 5.1200000000e+04 5.6197448279e-03 9.9998046875e-01
453 -4.7721852052e-01 7.9323762862e-01 -1.2287192492e+00 7.5150072872e-01 -1.2287192492e+00 5.1200000000e+04 5.6224097009e-03 9.9998046875e-01
454 -4.6501146329e-01 6.9645663676e-01 -1.2167223237e+00 7.5171086045e-01 -1.2167223237e+00 5.1200000000e+04 5.6234347559e-03 9.9996093750e-01
455 -4.4383914131e-01 5.6754583210e-01 -1.1983148719e+00 7.5447573064e-01 -1.1983148719e+00 5.1200000000e+04 5.6242582739e-03 9.9992187500e-01
456 -4.3863101592e-01 7.3429835273e-01 -1.2044571588e+00 7.6582614292e-01 -1.2044571588e+00 5.1200000000e+04 5.6028957849e-03 9.9996093750e-01
457 -4.3911883870e-01 7.8559758492e-01 -1.2041239784e+00 7.6500513974e-01 -1.2041239784e+00 5.1200000000e+04 5.6184631262e-03 1.0000000000e+00
458 -4.2334560079e-01 7.9915614998e-01 -1.1898974898e+00 7.6655188899e-01 -1.1898974898e+00 5.1200000000e+04 5.6226378418e-03 1.0000000000e+00
459 -4.2377371203e-01 5.2664346504e-01 -1.1787406746e+00 7.5496696257e-01 -1.1787406746e+00 5.1200000000e+04 5.6186525830e-03 9.9996093750e-01
460 -4.4473524637e-01 7.5562119557e-01 -1.1777991585e+00 7.3306391215e-01 -1.1777991585e+00 5.1200000000e+04 5.6264579871e-03 1.0000000000e+00
461 -4.4589119206e-01 5.8340077314e-01 -1.1543976476e+00 7.0850645551e-01 -1.1543976476e+00 5.1200000000e+04 5.6222878162e-03 9.9992187500e-01
462 -4.3039507716e-01 5.4545741554e-01 -1.1716703965e+00 7.4127531937e-01 -1.1716703965e+00 5.1200000000e+04 5.6034795496e-03 9.9996093750e-01
463 -4.4858715157e-01 2.5201683875e+00 -1.1917647414e+00 7.4317758987e-01 -1.1917647414e+00 5.1200000000e+04 5.6207318384e-03 9.9996093750e-01
464 -4.1995040176e-01 4.8967532616e-01 -1.1876198167e+00 7.6766941497e-01 -1.1876198167e+00 5.1200000000e+04 5.6214936267e-03 9.9996093750e-01
465 -4.2994449238e-01 7.5651472212e-01 -1.1646511308e+00 7.3470663838e-01 -1.1646511308e+00 5.1200000000e+04 5.6251376953e-03 9.9998046875e-01
466 -4.6357280559e-01 7.2847109346e-01 -1.1763407221e+00 7.1276791654e-01 -1.1763407221e+00 5.1200000000e+04 5.6226872180e-03 9.9996093750e-01
467 -4.5868040369e-01 7.1584678317e-01 -1.1613772583e+00 7.0269685458e-01 -1.1613772583e+00 5.1200000000e+04 5.6049099670e-03 9.9992187500e-01
468 -4.8100820806e-01 9.6026187486e-01 -1.2132945460e+00 7.3228633795e-01 -1.2132945460e+00 5.1200000000e+04 5.6216568042e-03 9.9998046875e-01
469 -4.6036023940e-01 6.6307584740e-01 -1.1899316215e+00 7.2957138207e-01 -1.1899316215e+00 5.1200000000e+04 5.6233104639e-03 9.9998046875e-01
470 -4.3516027877e-01 5.1299650687e-01 -1.1949240579e+00 7.5976377913e-01 -1.1949240579e+00 5.1200000000e+04 5.6273492322e-03 1.0000000000e+00
471 -4.2747583476e-01 6.3420849620e-01 -1.2010436577e+00 7.7356782298e-01 -1.2010436577e+00 5.1200000000e+04 5.6212331201e-03 9.9992187500e-01
472 -4.5148013203e-01 7.7941325568e-01 -1.1982590451e+00 7.4677891310e-01 -1.1982590451e+00 5.1200000000e+04 5.6037883081e-03 9.9998046875e-01
473 -4.6880496682e-01 6.1580594551e-01 -1.1986950648e+00 7.2989009794e-01 -1.1986950648e+00 5.1200000000e+04 5.6233446863e-03 9.9994140625e-01
474 -4.6228042905e-01 6.2804091632e-01 -1.1848769659e+00 7.2259653686e-01 -1.1848769659e+00 5.1200000000e+04 5.6260442615e-03 9.9992187500e-01
475 -4.5020644643e-01 6.7524190127e-01 -1.2024203004e+00 7.5221385397e-01 -1.2024203004e+00 5.1200000000e+04 5.6281777576e-03 9.9996093750e-01
476 -4.6327416434e-01 9.8531408399e-01 -1.2381513195e+00 7.7487715511e-01 -1.2381513195e+00 5.1200000000e+04 5.6235406604e-03 9.9998046875e-01
477 -4.4589851237e-01 6.2334677450e-01 -1.2295298314e+00 7.8363131901e-01 -1.2295298314e+00 5.1200000000e+04 5.6007061426e-03 9.9994140625e-01
478 -4.4664046404e-01 5.7578694496e-01 -1.2089621797e+00 7.6232171569e-01 -1.2089621797e+00 5.1200000000e+04 5.6195708691e-03 9.9996093750e-01
479 -4.5849894067e-01 6.1459798376e-01 -1.2160790756e+00 7.5758013492e-01 -1.2160790756e+00 5.1200000000e+04 5.6226427661e-03 9.9994140625e-01
480 -4.5012645755e-01 6.1697428810e-01 -1.1918286861e+00 7.4170222853e-01 -1.1918286861e+00 5.1200000000e+04 5.6246562769e-03 9.9996093750e-01
481 -4.7183428292e-01 9.0875947136e-01 -1.2174491812e+00 7.4561489828e-01 -1.2174491812e+00 5.1200000000e+04 5.6246747009e-03 1.0000000000e+00
482 -4.7150419483e-01 1.1828536216e+00 -1.2383883611e+00 7.6688416624e-01 -1.2383883611e+00 5.1200000000e+04 5.6034246399e-03 9.9988281250e-01
483 -4.5683078158e-01 8.1912389637e-01 -1.2255305218e+00 7.6869974022e-01 -1.2255305218e+00 5.1200000000e+04 5.6238987109e-03 9.9992187500e-01
484 -4.2936583706e-01 6.2954696610e-01 -1.1689280457e+00 7.3956220861e-01 -1.1689280457e+00 5.1200000000e+04 5.6201993335e-03 9.9996093750e-01
485 -4.3694452352e-01 7.4633362322e-01 -1.1796862196e+00 7.4274169612e-01 -1.1796862196e+00 5.1200000000e+04 5.6209710266e-03 9.9998046875e-01
486 -4.4104184054e-01 6.7363767741e-01 -1.1877039685e+00 7.4666212798e-01 -1.1877039685e+00 5.1200000000e+04 5.6213025488e-03 1.0000000000e+00
487 -4.9252011843e-01 1.0834749145e+00 -1.2510936300e+00 7.5857351152e-01 -1.2510936300e+00 5.1200000000e+04 5.6049434314e-03 1.0000000000e+00
488 -4.6922792722e-01 8.8231846280e-01 -1.2252528301e+00 7.5602490285e-01 -1.2252528301e+00 5.1200000000e+04 5.6226767773e-03 9.9996093750e-01
489 -4.5692210069e-01 8.7861671096e-01 -1.2353514999e+00 7.7842939923e-01 -1.2353514999e+00 5.1200000000e+04 5.6223875085e-03 9.9996093750e-01
490 -4.7542150481e-01 8.9091698514e-01 -1.2512191914e+00 7.7579768660e-01 -1.2512191914e+00 5.1200000000e+04 5.6238838806e-03 9.9998046875e-01
491 -4.1244993558e-01 4.8546477342e-01 -1.1697150211e+00 7.5726508553e-01 -1.1697150211e+00 5.1200000000e+04 5.6171490100e-03 9.9996093750e-01
492 -4.1493309227e-01 6.1612438729e-01 -1.2175274012e+00 8.0259430892e-01 -1.2175274012e+00 5.1200000000e+04 5.6065495398e-03 9.9990234375e-01
493 -4.5024533460e-01 8.4788205153e-01 -1.2349153302e+00 7.8466999559e-01 -1.2349153302e+00 5.1200000000e+04 5.6205485937e-03 9.9998046875e-01
494 -4.4671549188e-01 6.4543173326e-01 -1.1588418544e+00 7.1212636251e-01 -1.1588418544e+00 5.1200000000e+04 5.6169681042e-03 9.9994140625e-01
495 -4.8256864380e-01 9.5696619672e-01 -1.2098080650e+00 7.2723942118e-01 -1.2098080650e+00 5.1200000000e+04 5.6238273328e-03 9.9988281250e-01
496 -4.4411280863e-01 5.7025638876e-01 -1.1656811557e+00 7.2156834703e-01 -1.1656811557e+00 5.1200000000e+04 5.6211973145e-03 9.9990234375e-01
497 -4.6575104119e-01 7.9813586456e-01 -1.1433718248e+00 6.7762078359e-01 -1.1433718248e+00 5.1200000000e+04 5.6028844287e-03 1.0000000000e+00
498 -4.4338341873e-01 5.2926536419e-01 -1.1304613240e+00 6.8707790525e-01 -1.1304613240e+00 5.1200000000e+04 5.6244227856e-03 9.9998046875e-01
499 -4.5296415840e-01 7.1455351271e-01 -1.1351463843e+00 6.8218222586e-01 -1.1351463843e+00 5.1200000000e+04 5.6235686536e-03 9.9996093750e-01

501
labs/lab1_qmc_statistics/nodes/H.s002.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -3.3260983880e-01 7.8353896137e-01 -1.3772670348e+00 1.0446571960e+00 -1.3772670348e+00 2.0480000000e+05 5.3157075757e-03 9.9992675781e-01
1 -3.6118816431e-01 7.7530088392e-01 -1.4096752462e+00 1.0484870819e+00 -1.4096752462e+00 2.0480000000e+05 5.3183511813e-03 9.9995605469e-01
2 -3.8672618207e-01 6.5989515219e-01 -1.4206665063e+00 1.0339403242e+00 -1.4206665063e+00 2.0480000000e+05 5.3141282819e-03 9.9994140625e-01
3 -4.0566069525e-01 9.7399520577e-01 -1.4449043811e+00 1.0392436858e+00 -1.4449043811e+00 2.0480000000e+05 5.3128548013e-03 9.9993652344e-01
4 -3.9529908467e-01 8.5064605633e-01 -1.4181269492e+00 1.0228278645e+00 -1.4181269492e+00 2.0480000000e+05 5.2924895596e-03 9.9995117187e-01
5 -4.1756136308e-01 1.1117237551e+00 -1.4146350821e+00 9.9707371906e-01 -1.4146350821e+00 2.0480000000e+05 5.3117319968e-03 9.9995117187e-01
6 -4.0827986737e-01 8.1656014367e-01 -1.3770277393e+00 9.6874787195e-01 -1.3770277393e+00 2.0480000000e+05 5.3131876001e-03 9.9995605469e-01
7 -4.1568283753e-01 7.5410618380e-01 -1.3468161320e+00 9.3113329444e-01 -1.3468161320e+00 2.0480000000e+05 5.3112108463e-03 9.9995605469e-01
8 -4.2484496437e-01 6.7806311350e-01 -1.3192366662e+00 8.9439170181e-01 -1.3192366662e+00 2.0480000000e+05 5.3148362637e-03 9.9994140625e-01
9 -4.2221371618e-01 8.0206906999e-01 -1.2946017841e+00 8.7238806794e-01 -1.2946017841e+00 2.0480000000e+05 5.2916779962e-03 9.9994628906e-01
10 -4.1886226155e-01 6.7856101559e-01 -1.2832990807e+00 8.6443681914e-01 -1.2832990807e+00 2.0480000000e+05 5.3109992081e-03 9.9993652344e-01
11 -4.2873437548e-01 7.0002151152e-01 -1.2947590404e+00 8.6602466491e-01 -1.2947590404e+00 2.0480000000e+05 5.3137584207e-03 9.9993652344e-01
12 -4.3491100680e-01 8.6336792554e-01 -1.2927594640e+00 8.5784845716e-01 -1.2927594640e+00 2.0480000000e+05 5.3118868484e-03 9.9996582031e-01
13 -4.2382415966e-01 7.4896281569e-01 -1.2608302283e+00 8.3700606862e-01 -1.2608302283e+00 2.0480000000e+05 5.3137263095e-03 9.9995117187e-01
14 -4.3440764837e-01 7.6916694347e-01 -1.2622154712e+00 8.2780782280e-01 -1.2622154712e+00 2.0480000000e+05 5.2943309872e-03 9.9992675781e-01
15 -4.4395505878e-01 6.6696077129e-01 -1.2520928065e+00 8.0813774774e-01 -1.2520928065e+00 2.0480000000e+05 5.3118050092e-03 9.9995117187e-01
16 -4.3334219777e-01 6.7582440347e-01 -1.2510189511e+00 8.1767675334e-01 -1.2510189511e+00 2.0480000000e+05 5.3118455780e-03 9.9996093750e-01
17 -4.2880842152e-01 6.4555051566e-01 -1.2315609069e+00 8.0275248539e-01 -1.2315609069e+00 2.0480000000e+05 5.3122320413e-03 9.9994628906e-01
18 -4.3227457937e-01 7.1053587835e-01 -1.2344982623e+00 8.0222368294e-01 -1.2344982623e+00 2.0480000000e+05 5.3157214749e-03 9.9995605469e-01
19 -4.3685420920e-01 7.7764595748e-01 -1.2283127814e+00 7.9145857219e-01 -1.2283127814e+00 2.0480000000e+05 5.2935253876e-03 9.9996093750e-01
20 -4.3773740284e-01 6.2876808102e-01 -1.2326891448e+00 7.9495174198e-01 -1.2326891448e+00 2.0480000000e+05 5.3118559329e-03 9.9995605469e-01
21 -4.5481747199e-01 7.3373106578e-01 -1.2523250499e+00 7.9750757787e-01 -1.2523250499e+00 2.0480000000e+05 5.3139912369e-03 9.9995117187e-01
22 -4.4792584346e-01 6.2864830573e-01 -1.2285147574e+00 7.8058891392e-01 -1.2285147574e+00 2.0480000000e+05 5.3113620212e-03 9.9998535156e-01
23 -4.5014889762e-01 6.0968748388e-01 -1.2015018632e+00 7.5135296560e-01 -1.2015018632e+00 2.0480000000e+05 5.3131972095e-03 9.9996093750e-01
24 -4.5429783661e-01 8.3403341498e-01 -1.1967305190e+00 7.4243268242e-01 -1.1967305190e+00 2.0480000000e+05 5.2954671634e-03 9.9995117187e-01
25 -4.5998364106e-01 7.3281404102e-01 -1.2165405976e+00 7.5655695653e-01 -1.2165405976e+00 2.0480000000e+05 5.3115510321e-03 9.9997558594e-01
26 -4.5078339437e-01 7.0455326607e-01 -1.2065114598e+00 7.5572806545e-01 -1.2065114598e+00 2.0480000000e+05 5.3134756406e-03 9.9996093750e-01
27 -4.5977443674e-01 7.3093761745e-01 -1.2072495845e+00 7.4747514779e-01 -1.2072495845e+00 2.0480000000e+05 5.3125634830e-03 9.9993652344e-01
28 -4.3916554609e-01 5.7710684738e-01 -1.1899313503e+00 7.5076580423e-01 -1.1899313503e+00 2.0480000000e+05 5.3138618671e-03 9.9997070312e-01
29 -4.4550580412e-01 6.3726251196e-01 -1.1970724490e+00 7.5156664486e-01 -1.1970724490e+00 2.0480000000e+05 5.2937819861e-03 9.9998046875e-01
30 -4.5685416555e-01 7.4689399699e-01 -1.1976065078e+00 7.4075234220e-01 -1.1976065078e+00 2.0480000000e+05 5.3133162582e-03 9.9995117187e-01
31 -4.4840352244e-01 7.4578246011e-01 -1.2025660094e+00 7.5416248698e-01 -1.2025660094e+00 2.0480000000e+05 5.3135349554e-03 9.9993164062e-01
32 -4.5474688632e-01 9.7009606622e-01 -1.2055881439e+00 7.5084125753e-01 -1.2055881439e+00 2.0480000000e+05 5.3134089258e-03 9.9990234375e-01
33 -4.5750791654e-01 7.1130941760e-01 -1.1946611187e+00 7.3715320215e-01 -1.1946611187e+00 2.0480000000e+05 5.3154258594e-03 9.9997558594e-01
34 -4.5799051883e-01 6.8077510580e-01 -1.1844180691e+00 7.2642755023e-01 -1.1844180691e+00 2.0480000000e+05 5.2944556909e-03 9.9995605469e-01
35 -4.5204095110e-01 7.4369911107e-01 -1.1815563618e+00 7.2951541070e-01 -1.1815563618e+00 2.0480000000e+05 5.3107633331e-03 9.9993652344e-01
36 -4.4848100707e-01 6.8086159229e-01 -1.1692987832e+00 7.2081777618e-01 -1.1692987832e+00 2.0480000000e+05 5.3146689426e-03 9.9999511719e-01
37 -4.5107883313e-01 6.2547467284e-01 -1.1724205187e+00 7.2134168560e-01 -1.1724205187e+00 2.0480000000e+05 5.3111801526e-03 9.9996582031e-01
38 -4.4721101675e-01 5.7768766680e-01 -1.1553466662e+00 7.0813564949e-01 -1.1553466662e+00 2.0480000000e+05 5.3146432397e-03 9.9997558594e-01
39 -4.5860523325e-01 7.6493896766e-01 -1.1645765148e+00 7.0597128151e-01 -1.1645765148e+00 2.0480000000e+05 5.2945975525e-03 9.9995605469e-01
40 -4.4945985063e-01 6.4657182346e-01 -1.1772328176e+00 7.2777296696e-01 -1.1772328176e+00 2.0480000000e+05 5.3127803241e-03 9.9993652344e-01
41 -4.6662024596e-01 7.3159175238e-01 -1.1866160284e+00 7.1999578240e-01 -1.1866160284e+00 2.0480000000e+05 5.3143991061e-03 9.9996093750e-01
42 -4.6097261051e-01 6.7913858636e-01 -1.1862658871e+00 7.2529327657e-01 -1.1862658871e+00 2.0480000000e+05 5.3134900696e-03 9.9993652344e-01
43 -4.4760392667e-01 6.3536023366e-01 -1.1682848467e+00 7.2068092005e-01 -1.1682848467e+00 2.0480000000e+05 5.3158411777e-03 9.9996582031e-01
44 -4.5827774445e-01 7.7178298777e-01 -1.1972218708e+00 7.3894412638e-01 -1.1972218708e+00 2.0480000000e+05 5.2934318387e-03 9.9996582031e-01
45 -4.7071224257e-01 7.5532213106e-01 -1.2155007586e+00 7.4478851601e-01 -1.2155007586e+00 2.0480000000e+05 5.3122018082e-03 9.9996582031e-01
46 -4.6099088109e-01 6.7824324711e-01 -1.2196859857e+00 7.5869510464e-01 -1.2196859857e+00 2.0480000000e+05 5.3140621948e-03 9.9996582031e-01
47 -4.5334674863e-01 8.7042152259e-01 -1.2086583689e+00 7.5531162027e-01 -1.2086583689e+00 2.0480000000e+05 5.3118468484e-03 9.9993652344e-01
48 -4.5597857781e-01 6.9818219206e-01 -1.2168694797e+00 7.6089090192e-01 -1.2168694797e+00 2.0480000000e+05 5.3143210522e-03 9.9996582031e-01
49 -4.5543671160e-01 6.7744220567e-01 -1.1991908208e+00 7.4375410915e-01 -1.1991908208e+00 2.0480000000e+05 5.2959325177e-03 9.9995117187e-01
50 -4.3137617503e-01 5.9907575959e-01 -1.1775103279e+00 7.4613415285e-01 -1.1775103279e+00 2.0480000000e+05 5.3124052698e-03 9.9993652344e-01
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465 -4.4615598032e-01 6.3595648296e-01 -1.1993685227e+00 7.5321254237e-01 -1.1993685227e+00 2.0480000000e+05 5.3143860391e-03 9.9994140625e-01
466 -4.5439013724e-01 7.0899608737e-01 -1.2031714311e+00 7.4878129390e-01 -1.2031714311e+00 2.0480000000e+05 5.3141337067e-03 9.9996582031e-01
467 -4.3966452285e-01 7.2144870855e-01 -1.1807838978e+00 7.4111937494e-01 -1.1807838978e+00 2.0480000000e+05 5.2971847137e-03 9.9997558594e-01
468 -4.5647981397e-01 7.1477897941e-01 -1.1907065330e+00 7.3422671901e-01 -1.1907065330e+00 2.0480000000e+05 5.3151755640e-03 9.9994628906e-01
469 -4.4754860592e-01 6.2006976088e-01 -1.1675813105e+00 7.2003270458e-01 -1.1675813105e+00 2.0480000000e+05 5.3147487173e-03 9.9996093750e-01
470 -4.6892814931e-01 7.9345272161e-01 -1.1822644912e+00 7.1333634189e-01 -1.1822644912e+00 2.0480000000e+05 5.3162539777e-03 9.9995117187e-01
471 -4.4988890386e-01 6.0453739459e-01 -1.1725949752e+00 7.2270607139e-01 -1.1725949752e+00 2.0480000000e+05 5.3134784189e-03 9.9993164062e-01
472 -4.5448707962e-01 7.1405059949e-01 -1.1795492555e+00 7.2506217592e-01 -1.1795492555e+00 2.0480000000e+05 5.2960213965e-03 9.9996582031e-01
473 -4.4781514476e-01 6.8224433112e-01 -1.1959213617e+00 7.4810621690e-01 -1.1959213617e+00 2.0480000000e+05 5.3156386011e-03 9.9997070312e-01
474 -4.4525967072e-01 6.5304154985e-01 -1.1906703048e+00 7.4541063408e-01 -1.1906703048e+00 2.0480000000e+05 5.3137710687e-03 9.9994628906e-01
475 -4.4821312205e-01 6.5795803770e-01 -1.1844554589e+00 7.3624233682e-01 -1.1844554589e+00 2.0480000000e+05 5.3159149823e-03 9.9996093750e-01
476 -4.6912331800e-01 7.6477141734e-01 -1.2047153147e+00 7.3559199674e-01 -1.2047153147e+00 2.0480000000e+05 5.3152521460e-03 9.9994628906e-01
477 -4.5925445684e-01 7.1758763670e-01 -1.1923355897e+00 7.3308113288e-01 -1.1923355897e+00 2.0480000000e+05 5.2945234674e-03 9.9995117187e-01
478 -4.5393979323e-01 7.3670717058e-01 -1.1961339747e+00 7.4219418151e-01 -1.1961339747e+00 2.0480000000e+05 5.3128574725e-03 9.9992187500e-01
479 -4.5693414649e-01 7.0452820491e-01 -1.2018515366e+00 7.4491739009e-01 -1.2018515366e+00 2.0480000000e+05 5.3144575742e-03 9.9996582031e-01
480 -4.6338725480e-01 1.0206283970e+00 -1.2118282131e+00 7.4844095832e-01 -1.2118282131e+00 2.0480000000e+05 5.3161604440e-03 9.9997558594e-01
481 -4.5235288070e-01 6.4351902832e-01 -1.1883182679e+00 7.3596538718e-01 -1.1883182679e+00 2.0480000000e+05 5.3149604456e-03 9.9995605469e-01
482 -4.5879410265e-01 5.9758078104e-01 -1.1846635849e+00 7.2586948225e-01 -1.1846635849e+00 2.0480000000e+05 5.2948482407e-03 9.9995117187e-01
483 -4.6104590788e-01 6.5317112782e-01 -1.1845965112e+00 7.2355060329e-01 -1.1845965112e+00 2.0480000000e+05 5.3151384982e-03 9.9997558594e-01
484 -4.5563230702e-01 7.3553060988e-01 -1.1901623913e+00 7.3453008431e-01 -1.1901623913e+00 2.0480000000e+05 5.3126090906e-03 9.9996582031e-01
485 -4.5567746125e-01 6.5553730248e-01 -1.1802459072e+00 7.2456844590e-01 -1.1802459072e+00 2.0480000000e+05 5.3163110352e-03 9.9995117187e-01
486 -4.6748724001e-01 8.1038454934e-01 -1.1915016380e+00 7.2401439801e-01 -1.1915016380e+00 2.0480000000e+05 5.3141308310e-03 9.9996582031e-01
487 -4.6866932375e-01 7.3588101308e-01 -1.1836651366e+00 7.1499581284e-01 -1.1836651366e+00 2.0480000000e+05 5.2947599524e-03 9.9993652344e-01
488 -4.6956262133e-01 9.1487590270e-01 -1.1715708287e+00 7.0200820741e-01 -1.1715708287e+00 2.0480000000e+05 5.3145074744e-03 9.9996582031e-01
489 -4.6060919465e-01 6.1275703963e-01 -1.1656733177e+00 7.0506412303e-01 -1.1656733177e+00 2.0480000000e+05 5.3143624335e-03 9.9993164062e-01
490 -4.6475616527e-01 6.3235200782e-01 -1.1706224426e+00 7.0586627736e-01 -1.1706224426e+00 2.0480000000e+05 5.3141685608e-03 9.9995605469e-01
491 -4.6648266543e-01 6.4754998449e-01 -1.1820910176e+00 7.1560835212e-01 -1.1820910176e+00 2.0480000000e+05 5.3129870795e-03 9.9996093750e-01
492 -4.7398878791e-01 1.1422861703e+00 -1.1680291200e+00 6.9404033212e-01 -1.1680291200e+00 2.0480000000e+05 5.2969736072e-03 9.9996582031e-01
493 -4.5865714893e-01 6.4635778282e-01 -1.1626315689e+00 7.0397442000e-01 -1.1626315689e+00 2.0480000000e+05 5.3150813223e-03 9.9994140625e-01
494 -4.6695087235e-01 7.4212019234e-01 -1.1812808752e+00 7.1433000286e-01 -1.1812808752e+00 2.0480000000e+05 5.3138358044e-03 9.9996093750e-01
495 -4.5201821689e-01 7.8756260630e-01 -1.1841396183e+00 7.3212140146e-01 -1.1841396183e+00 2.0480000000e+05 5.3174919366e-03 9.9996093750e-01
496 -4.6180137614e-01 6.6098851032e-01 -1.1967937455e+00 7.3499236936e-01 -1.1967937455e+00 2.0480000000e+05 5.3132273099e-03 9.9994628906e-01
497 -4.4851554623e-01 5.3952892092e-01 -1.1949055400e+00 7.4638999376e-01 -1.1949055400e+00 2.0480000000e+05 5.2955447510e-03 9.9996093750e-01
498 -4.6384928762e-01 7.5928177887e-01 -1.1881604048e+00 7.2431111713e-01 -1.1881604048e+00 2.0480000000e+05 5.3163079700e-03 9.9993652344e-01
499 -4.6373918894e-01 8.2654762503e-01 -1.1939936340e+00 7.3025444506e-01 -1.1939936340e+00 2.0480000000e+05 5.3148804242e-03 9.9998046875e-01

501
labs/lab1_qmc_statistics/problematic/H.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.9102176453e-01 2.7415563552e-01 -8.6189926900e-01 3.7087750448e-01 -8.6189926900e-01 8.0000000000e+02 2.9939413071e-04 8.0000000000e-01
1 nan nan nan nan -7.1254506018e-01 8.0000000000e+02 3.2418966293e-04 8.4125000000e-01
2 -5.1085398585e-01 2.8905926307e-01 -9.9282449059e-01 4.8197050474e-01 -9.9282449059e-01 8.0000000000e+02 3.1727552414e-04 7.0750000000e-01
3 -5.1039369095e-01 2.8625468428e-01 -1.0278499754e+00 5.1745628440e-01 -1.0278499754e+00 8.0000000000e+02 3.3026933670e-04 7.3000000000e-01
4 -5.2771989834e-01 2.9485297758e-01 -1.0395439362e+00 5.1182403788e-01 -1.0395439362e+00 8.0000000000e+02 2.8851628304e-04 7.0625000000e-01
5 -5.1542965924e-01 2.8872571142e-01 -1.0765891372e+00 5.6115947795e-01 -1.0765891372e+00 8.0000000000e+02 2.6491284370e-04 7.5875000000e-01
6 -5.1511736982e-01 2.9318655744e-01 -1.1260178080e+00 6.1090043822e-01 -1.1260178080e+00 8.0000000000e+02 2.9858946800e-04 7.2875000000e-01
7 -4.8017044651e-01 2.7827180800e-01 -1.1103786254e+00 6.3020817894e-01 -1.1103786254e+00 8.0000000000e+02 3.1933188438e-04 7.0500000000e-01
8 -5.5423352014e-01 4.2633672672e-01 -1.0469447108e+00 4.9271119071e-01 -1.0469447108e+00 8.0000000000e+02 2.9772520065e-04 7.5375000000e-01
9 -5.1912004446e-01 3.3542928493e-01 -1.1542809527e+00 6.3516090821e-01 -1.1542809527e+00 8.0000000000e+02 3.2657384872e-04 7.4500000000e-01
10 -4.9396038389e-01 2.7886783263e-01 -1.0477965601e+00 5.5383617618e-01 -1.0477965601e+00 8.0000000000e+02 2.1868944168e-04 7.2500000000e-01
11 -5.1609570575e-01 2.8609905619e-01 -1.0326161430e+00 5.1652043722e-01 -1.0326161430e+00 8.0000000000e+02 2.7093291283e-04 7.3750000000e-01
12 -5.1334621277e-01 2.9750871610e-01 -1.2248956114e+00 7.1154939868e-01 -1.2248956114e+00 8.0000000000e+02 2.4950504303e-04 6.9750000000e-01
13 -5.2208456546e-01 2.9619498536e-01 -1.0467993247e+00 5.2471475928e-01 -1.0467993247e+00 8.0000000000e+02 2.8035044670e-04 7.2250000000e-01
14 -5.0085734795e-01 2.6452479014e-01 -8.1993704780e-01 3.1907969985e-01 -8.1993704780e-01 8.0000000000e+02 2.8702616692e-04 8.0375000000e-01
15 -5.2389031167e-01 2.9102869819e-01 -8.1179920562e-01 2.8790889395e-01 -8.1179920562e-01 8.0000000000e+02 2.8279423714e-04 7.6250000000e-01
16 -4.6322827039e-01 2.6406112776e-01 -1.1114397893e+00 6.4821151890e-01 -1.1114397893e+00 8.0000000000e+02 2.6798248291e-04 7.3000000000e-01
17 -4.6661005672e-01 2.6076535169e-01 -7.7695303289e-01 3.1034297617e-01 -7.7695303289e-01 8.0000000000e+02 2.8929114342e-04 7.7500000000e-01
18 -4.6487623042e-01 2.5736461857e-01 -9.0341715302e-01 4.3854092260e-01 -9.0341715302e-01 8.0000000000e+02 2.6062130928e-04 7.8750000000e-01
19 -5.1194791206e-01 2.7771159979e-01 -9.2096803725e-01 4.0902012519e-01 -9.2096803725e-01 8.0000000000e+02 2.7585029602e-04 7.7375000000e-01
20 -5.1626346824e-01 2.8195744723e-01 -7.1437606503e-01 1.9811259679e-01 -7.1437606503e-01 8.0000000000e+02 2.5886297226e-04 7.9500000000e-01
21 -5.1921495767e-01 2.7967123005e-01 -7.2557734435e-01 2.0636238669e-01 -7.2557734435e-01 8.0000000000e+02 2.8198957443e-04 8.1875000000e-01
22 -5.2544575332e-01 2.8987609160e-01 -8.5787273441e-01 3.3242698109e-01 -8.5787273441e-01 8.0000000000e+02 2.7599930763e-04 8.0000000000e-01
23 -5.2484191155e-01 2.9211682890e-01 -9.9950611266e-01 4.7466420111e-01 -9.9950611266e-01 8.0000000000e+02 2.0307302475e-04 7.3250000000e-01
24 -4.9230777902e-01 2.8366251803e-01 -1.1592294513e+00 6.6692167231e-01 -1.1592294513e+00 8.0000000000e+02 2.5507807732e-04 7.5000000000e-01
25 -5.2740557718e-01 4.5158615372e-01 -1.4070903367e+00 8.7968475951e-01 -1.4070903367e+00 8.0000000000e+02 2.2134184837e-04 7.0250000000e-01
26 -5.1776860530e-01 2.9374780104e-01 -1.1016627601e+00 5.8389415484e-01 -1.1016627601e+00 8.0000000000e+02 2.4738907814e-04 7.1500000000e-01
27 -5.2782652159e-01 2.9840484681e-01 -9.3393186529e-01 4.0610534370e-01 -9.3393186529e-01 8.0000000000e+02 2.4548172951e-04 7.3750000000e-01
28 -4.6969818020e-01 2.8045573303e-01 -1.0082005582e+00 5.3850237803e-01 -1.0082005582e+00 8.0000000000e+02 2.2664666176e-04 7.4500000000e-01
29 -5.0472584793e-01 2.7540989519e-01 -8.4625220925e-01 3.4152636132e-01 -8.4625220925e-01 8.0000000000e+02 2.0551681519e-04 7.8875000000e-01
30 -4.8589952256e-01 2.7053587811e-01 -7.8459446981e-01 2.9869494725e-01 -7.8459446981e-01 8.0000000000e+02 2.3490190506e-04 8.0500000000e-01
31 -5.2180775663e-01 2.8821835332e-01 -8.3687519784e-01 3.1506744121e-01 -8.3687519784e-01 8.0000000000e+02 1.7982721329e-04 7.8375000000e-01
32 -5.2831014246e-01 2.9166004612e-01 -9.0470423835e-01 3.7639409589e-01 -9.0470423835e-01 8.0000000000e+02 2.6264786720e-04 7.6750000000e-01
33 -5.2114643539e-01 2.9819949752e-01 -1.0830093797e+00 5.6186294434e-01 -1.0830093797e+00 8.0000000000e+02 2.1809339523e-04 7.1875000000e-01
34 -5.6679834789e-01 4.1999861604e-01 -8.3651881380e-01 2.6972046591e-01 -8.3651881380e-01 8.0000000000e+02 2.6884675026e-04 8.4000000000e-01
35 -5.2896544882e-01 2.9590907696e-01 -8.5373241372e-01 3.2476696490e-01 -8.5373241372e-01 8.0000000000e+02 2.5960803032e-04 7.9125000000e-01
36 -5.2059034378e-01 2.8945156907e-01 -1.0178978770e+00 4.9730753319e-01 -1.0178978770e+00 8.0000000000e+02 1.9967556000e-04 7.5875000000e-01
37 -5.0936632225e-01 2.8691035179e-01 -9.5537596351e-01 4.4600964126e-01 -9.5537596351e-01 8.0000000000e+02 1.7562508583e-04 7.5500000000e-01
38 -5.0224602322e-01 2.7880261433e-01 -9.3792917419e-01 4.3568315097e-01 -9.3792917419e-01 8.0000000000e+02 2.5558471680e-04 7.4875000000e-01
39 -4.9746254118e-01 2.8120851297e-01 -1.0527495108e+00 5.5528696966e-01 -1.0527495108e+00 8.0000000000e+02 2.4193525314e-04 6.8625000000e-01
40 -5.3366416843e-01 2.9363468693e-01 -8.6237958498e-01 3.2871541655e-01 -8.6237958498e-01 8.0000000000e+02 2.3150444031e-04 7.6500000000e-01
41 -5.0660239434e-01 2.9946551388e-01 -1.0609148160e+00 5.5431242164e-01 -1.0609148160e+00 8.0000000000e+02 2.4980306625e-04 7.2500000000e-01
42 -6.2007695433e-01 1.4603977992e+00 -1.7261454100e+00 1.1060684556e+00 -1.7261454100e+00 8.0000000000e+02 2.3677945137e-04 7.0625000000e-01
43 -4.4531207608e-01 2.6671163936e-01 -1.1263859525e+00 6.8107387640e-01 -1.1263859525e+00 8.0000000000e+02 2.4557113647e-04 7.2125000000e-01
44 -4.5843267315e-01 2.5660581167e-01 -9.1982684652e-01 4.6139417337e-01 -9.1982684652e-01 8.0000000000e+02 2.6100873947e-04 7.8250000000e-01
45 -4.7413948256e-01 2.6846798780e-01 -8.3834297822e-01 3.6420349566e-01 -8.3834297822e-01 8.0000000000e+02 2.1740794182e-04 8.0500000000e-01
46 -4.7521200598e-01 2.6576213651e-01 -9.5314385323e-01 4.7793184725e-01 -9.5314385323e-01 8.0000000000e+02 2.6449561119e-04 7.8500000000e-01
47 -5.1684863746e-01 3.3998160628e-01 -1.3883222183e+00 8.7147358083e-01 -1.3883222183e+00 8.0000000000e+02 2.3639202118e-04 6.7250000000e-01
48 -4.9230594760e-01 2.9112793653e-01 -1.2071923699e+00 7.1488642227e-01 -1.2071923699e+00 8.0000000000e+02 2.1663308144e-04 6.9250000000e-01
49 -5.1391587002e-01 2.8652227358e-01 -1.1370270674e+00 6.2311119735e-01 -1.1370270674e+00 8.0000000000e+02 2.1848082542e-04 6.9000000000e-01
50 -5.1934428297e-01 2.8185331751e-01 -8.5123285248e-01 3.3188856952e-01 -8.5123285248e-01 8.0000000000e+02 2.6348233223e-04 7.9000000000e-01
51 -5.2018339121e-01 2.9617289409e-01 -8.7651796885e-01 3.5633457763e-01 -8.7651796885e-01 8.0000000000e+02 2.3332238197e-04 7.9750000000e-01
52 -5.1831236252e-01 2.9246955284e-01 -9.8471869850e-01 4.6640633598e-01 -9.8471869850e-01 8.0000000000e+02 2.5799870491e-04 7.6875000000e-01
53 -5.0888437457e-01 2.8292652343e-01 -9.3106693472e-01 4.2218256016e-01 -9.3106693472e-01 8.0000000000e+02 2.6017427444e-04 7.9250000000e-01
54 -4.9790778853e-01 2.7960299106e-01 -1.1189118168e+00 6.2100402826e-01 -1.1189118168e+00 8.0000000000e+02 2.3677945137e-04 7.0875000000e-01
55 -5.9103444538e-01 1.4327661003e+00 -1.4835036959e+00 8.9246925050e-01 -1.4835036959e+00 8.0000000000e+02 2.3403763771e-04 6.8625000000e-01
56 -4.6432664613e-01 2.7149191780e-01 -1.0580836015e+00 5.9375695540e-01 -1.0580836015e+00 8.0000000000e+02 2.1800398827e-04 7.0125000000e-01
57 -5.0428192941e-01 2.9535740507e-01 -1.1401769167e+00 6.3589498733e-01 -1.1401769167e+00 8.0000000000e+02 2.2190809250e-04 7.0375000000e-01
58 -4.4577578852e-01 2.4964479683e-01 -1.1235483700e+00 6.7777258151e-01 -1.1235483700e+00 8.0000000000e+02 2.4780631065e-04 7.3000000000e-01
59 -4.5705704914e-01 3.4682516792e-01 -1.4440264960e+00 9.8696944689e-01 -1.4440264960e+00 8.0000000000e+02 2.2211670876e-04 7.3875000000e-01
60 -4.9026660790e-01 2.9650082203e-01 -1.2501742477e+00 7.5990763984e-01 -1.2501742477e+00 8.0000000000e+02 2.3502111435e-04 6.8375000000e-01
61 -4.6640637310e-01 2.8287260855e-01 -1.2372921259e+00 7.7088575280e-01 -1.2372921259e+00 8.0000000000e+02 2.1499395370e-04 6.7750000000e-01
62 -4.9533847684e-01 2.8380886862e-01 -1.0752401994e+00 5.7990172260e-01 -1.0752401994e+00 8.0000000000e+02 2.5251507759e-04 7.4375000000e-01
63 -4.9226761399e-01 2.8141930527e-01 -1.1253231549e+00 6.3305554087e-01 -1.1253231549e+00 8.0000000000e+02 2.5498867035e-04 7.4250000000e-01
64 -5.0442929102e-01 2.9164163591e-01 -1.0768351586e+00 5.7240586759e-01 -1.0768351586e+00 8.0000000000e+02 2.5022029877e-04 7.5125000000e-01
65 -5.0790436658e-01 2.7113694373e-01 -8.6465392756e-01 3.5674956098e-01 -8.6465392756e-01 8.0000000000e+02 2.5179982185e-04 8.0000000000e-01
66 -5.1550749702e-01 2.7975352251e-01 -8.6209658510e-01 3.4658908809e-01 -8.6209658510e-01 8.0000000000e+02 2.1088123322e-04 7.9250000000e-01
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489 -6.0543132215e-02 6.5538086388e-01 -4.2317447094e-01 3.6263133873e-01 -4.2317447094e-01 8.0000000000e+02 2.0685791969e-04 7.7375000000e-01
490 8.7244442477e-03 8.2597465440e-01 -6.2898235144e-01 6.3770679569e-01 -6.2898235144e-01 8.0000000000e+02 2.3946166039e-04 7.0625000000e-01
491 2.6824078108e-02 7.2679887253e-01 -4.0727897714e-01 4.3410305525e-01 -4.0727897714e-01 8.0000000000e+02 2.6062130928e-04 7.8000000000e-01
492 1.6858472343e-01 1.7439515171e+00 -5.2477733050e-01 6.9336205393e-01 -5.2477733050e-01 8.0000000000e+02 2.5027990341e-04 7.2375000000e-01
493 -2.2440375366e-02 7.9148148097e-01 -4.0927887210e-01 3.8683849673e-01 -4.0927887210e-01 8.0000000000e+02 2.5686621666e-04 7.8125000000e-01
494 -2.0814144273e-01 1.6388228216e-01 -3.5517700375e-01 1.4703556102e-01 -3.5517700375e-01 8.0000000000e+02 2.4974346161e-04 8.1125000000e-01
495 -1.8094220410e-01 3.6743302362e-01 -6.0605478816e-01 4.2511258406e-01 -6.0605478816e-01 8.0000000000e+02 2.6115775108e-04 7.6250000000e-01
496 -7.0525518214e-02 9.8409489760e-01 -6.7750848705e-01 6.0698296884e-01 -6.7750848705e-01 8.0000000000e+02 2.3007392883e-04 7.3375000000e-01
497 -2.5965154279e-02 5.8917026524e-01 -7.0846874642e-01 6.8250359214e-01 -7.0846874642e-01 8.0000000000e+02 2.4795532227e-04 7.4250000000e-01
498 -1.3276805487e-01 4.9182145990e-01 -5.0616622211e-01 3.7339816725e-01 -5.0616622211e-01 8.0000000000e+02 2.2244453430e-04 7.9625000000e-01
499 -2.1112823121e-01 2.1552981269e-01 -4.3077535496e-01 2.1964712375e-01 -4.3077535496e-01 8.0000000000e+02 2.8392672539e-04 8.3500000000e-01

501
labs/lab1_qmc_statistics/size/01________H.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic Coulomb BlockWeight BlockCPU AcceptRatio
0 -4.8011246373e-01 5.7249639861e-01 -1.2128819049e+00 7.3276944114e-01 -1.2128819049e+00 1.2800000000e+04 5.6578723877e-03 9.8226562500e-01
1 -4.7939236104e-01 4.8085919104e-01 -1.2356349669e+00 7.5624260584e-01 -1.2356349669e+00 1.2800000000e+04 5.7450352686e-03 9.8476562500e-01
2 -4.6710203557e-01 4.1537943898e-01 -1.2515957983e+00 7.8449376270e-01 -1.2515957983e+00 1.2800000000e+04 5.6795417090e-03 9.8250000000e-01
3 -4.5596905598e-01 5.4101751182e-01 -1.3033197482e+00 8.4735069226e-01 -1.3033197482e+00 1.2800000000e+04 5.6649059619e-03 9.8015625000e-01
4 -4.4861029675e-01 3.6306747097e-01 -1.3299512687e+00 8.8134097191e-01 -1.3299512687e+00 1.2800000000e+04 5.6604725537e-03 9.8109375000e-01
5 -4.6565220159e-01 3.8653394553e-01 -1.2652260531e+00 7.9957385147e-01 -1.2652260531e+00 1.2800000000e+04 5.6855939209e-03 9.8257812500e-01
6 -4.6812116825e-01 3.5555838833e-01 -1.2460864170e+00 7.7796524875e-01 -1.2460864170e+00 1.2800000000e+04 5.6760915234e-03 9.8179687500e-01
7 -4.6402181581e-01 3.3751940605e-01 -1.2536584458e+00 7.8963662995e-01 -1.2536584458e+00 1.2800000000e+04 5.6652355811e-03 9.8062500000e-01
8 -4.6979576801e-01 3.5090253768e-01 -1.2339002691e+00 7.6410450106e-01 -1.2339002691e+00 1.2800000000e+04 5.6773197412e-03 9.8156250000e-01
9 -4.5453869171e-01 3.3274152779e-01 -1.3038798628e+00 8.4934117109e-01 -1.3038798628e+00 1.2800000000e+04 5.6456176904e-03 9.7851562500e-01
10 -4.6488416989e-01 4.7602363397e-01 -1.2735603553e+00 8.0867618537e-01 -1.2735603553e+00 1.2800000000e+04 5.6714987451e-03 9.8031250000e-01
11 -4.6095863602e-01 3.5967536627e-01 -1.2703570615e+00 8.0939842551e-01 -1.2703570615e+00 1.2800000000e+04 5.6655931055e-03 9.7976562500e-01
12 -4.7993371234e-01 3.6819260585e-01 -1.2046094192e+00 7.2467570687e-01 -1.2046094192e+00 1.2800000000e+04 5.6714523730e-03 9.8164062500e-01
13 -4.7220567610e-01 3.5279120014e-01 -1.2164818494e+00 7.4427617327e-01 -1.2164818494e+00 1.2800000000e+04 5.6788324316e-03 9.8250000000e-01
14 -4.7732530377e-01 4.2390238717e-01 -1.2042706026e+00 7.2694529880e-01 -1.2042706026e+00 1.2800000000e+04 5.6563101221e-03 9.8039062500e-01
15 -4.8755621769e-01 3.3704062958e-01 -1.1724298457e+00 6.8487362800e-01 -1.1724298457e+00 1.2800000000e+04 5.6807977393e-03 9.8304687500e-01
16 -4.6766578286e-01 3.6696744082e-01 -1.2426335145e+00 7.7496773168e-01 -1.2426335145e+00 1.2800000000e+04 5.6785538086e-03 9.8132812500e-01
17 -4.7066664079e-01 3.3281727491e-01 -1.2206940846e+00 7.5002744383e-01 -1.2206940846e+00 1.2800000000e+04 5.7040725732e-03 9.8554687500e-01
18 -4.7931363219e-01 4.6086203170e-01 -1.2108676363e+00 7.3155400415e-01 -1.2108676363e+00 1.2800000000e+04 5.6797243457e-03 9.8156250000e-01
19 -4.6144316927e-01 8.5822771905e-01 -1.3297191928e+00 8.6827602356e-01 -1.3297191928e+00 1.2800000000e+04 5.6503853857e-03 9.7914062500e-01
20 -4.8298799837e-01 3.3427155864e-01 -1.1789843190e+00 6.9599632066e-01 -1.1789843190e+00 1.2800000000e+04 5.6850524170e-03 9.8296875000e-01
21 -4.7794994223e-01 4.3580618112e-01 -1.2112642704e+00 7.3331432819e-01 -1.2112642704e+00 1.2800000000e+04 5.6875955811e-03 9.8351562500e-01
22 -4.7252891862e-01 3.7296232693e-01 -1.2270088880e+00 7.5447996939e-01 -1.2270088880e+00 1.2800000000e+04 5.6776597852e-03 9.8265625000e-01
23 -4.8261594609e-01 3.6102520110e-01 -1.1834906610e+00 7.0087471493e-01 -1.1834906610e+00 1.2800000000e+04 5.6818132275e-03 9.8375000000e-01
24 -4.6857664203e-01 4.2302013585e-01 -1.2689465844e+00 8.0036994236e-01 -1.2689465844e+00 1.2800000000e+04 5.6623515869e-03 9.8187500000e-01
25 -4.8280881397e-01 4.2072450955e-01 -1.2060991022e+00 7.2329028822e-01 -1.2060991022e+00 1.2800000000e+04 5.6896266113e-03 9.8437500000e-01
26 -4.7019281328e-01 3.7406048880e-01 -1.2422016251e+00 7.7200881179e-01 -1.2422016251e+00 1.2800000000e+04 5.6691328467e-03 9.8031250000e-01
27 -4.5533628177e-01 3.3551219936e-01 -1.3029609032e+00 8.4762462142e-01 -1.3029609032e+00 1.2800000000e+04 5.6611955225e-03 9.7960937500e-01
28 -4.6171129803e-01 3.9811140379e-01 -1.2740579638e+00 8.1234666579e-01 -1.2740579638e+00 1.2800000000e+04 5.6683020410e-03 9.8031250000e-01
29 -4.6343362816e-01 3.4379270882e-01 -1.2658676452e+00 8.0243401701e-01 -1.2658676452e+00 1.2800000000e+04 5.6608605713e-03 9.8203125000e-01
30 -4.6378766867e-01 4.3298702223e-01 -1.2783647514e+00 8.1457708276e-01 -1.2783647514e+00 1.2800000000e+04 5.6836307227e-03 9.8171875000e-01
31 -4.8204200563e-01 4.8513314813e-01 -1.2114015865e+00 7.2935958087e-01 -1.2114015865e+00 1.2800000000e+04 5.6777300293e-03 9.8046875000e-01
32 -4.6361671037e-01 3.4189607686e-01 -1.2488203248e+00 7.8520361447e-01 -1.2488203248e+00 1.2800000000e+04 5.6784930615e-03 9.8179687500e-01
33 -4.8552427004e-01 3.5319396861e-01 -1.1860377473e+00 7.0051347727e-01 -1.1860377473e+00 1.2800000000e+04 5.6882472559e-03 9.8164062500e-01
34 -4.5925266676e-01 3.4795257595e-01 -1.2650295059e+00 8.0577683915e-01 -1.2650295059e+00 1.2800000000e+04 5.6504232471e-03 9.8101562500e-01
35 -4.7252193454e-01 3.3191619441e-01 -1.2427239111e+00 7.7020197652e-01 -1.2427239111e+00 1.2800000000e+04 5.6702498779e-03 9.8062500000e-01
36 -4.5454760720e-01 4.3178300083e-01 -1.2984728939e+00 8.4392528673e-01 -1.2984728939e+00 1.2800000000e+04 5.6790666797e-03 9.8046875000e-01
37 -4.6850264016e-01 3.5198963757e-01 -1.2522029863e+00 7.8370034609e-01 -1.2522029863e+00 1.2800000000e+04 5.6739471777e-03 9.8054687500e-01
38 -4.7371326675e-01 3.3361298666e-01 -1.2249826219e+00 7.5126935511e-01 -1.2249826219e+00 1.2800000000e+04 5.6739675635e-03 9.8039062500e-01
39 -4.7991772895e-01 3.7543784070e-01 -1.1854892363e+00 7.0557150738e-01 -1.1854892363e+00 1.2800000000e+04 5.6670764111e-03 9.8296875000e-01
40 -4.6513480420e-01 3.5560927867e-01 -1.2425024506e+00 7.7736764639e-01 -1.2425024506e+00 1.2800000000e+04 5.6848444189e-03 9.8210937500e-01
41 -4.8986099175e-01 4.6220398596e-01 -1.1834367433e+00 6.9357575157e-01 -1.1834367433e+00 1.2800000000e+04 5.6803260205e-03 9.8273437500e-01
42 -4.9425105692e-01 3.8661036108e-01 -1.1517539273e+00 6.5750287039e-01 -1.1517539273e+00 1.2800000000e+04 5.6881629150e-03 9.8328125000e-01
43 -4.5706831240e-01 3.5175837664e-01 -1.2897552736e+00 8.3268696117e-01 -1.2897552736e+00 1.2800000000e+04 5.6636389600e-03 9.7835937500e-01
44 -4.5589471071e-01 3.3478979160e-01 -1.2781795586e+00 8.2228484791e-01 -1.2781795586e+00 1.2800000000e+04 5.6562534033e-03 9.8132812500e-01
45 -4.5755804529e-01 3.4413506127e-01 -1.2742378185e+00 8.1667977320e-01 -1.2742378185e+00 1.2800000000e+04 5.6792257959e-03 9.8156250000e-01
46 -4.8751773038e-01 4.5143940325e-01 -1.2054892737e+00 7.1797154332e-01 -1.2054892737e+00 1.2800000000e+04 5.6801070068e-03 9.8187500000e-01
47 -4.7906735131e-01 3.6317567586e-01 -1.2006771029e+00 7.2160975156e-01 -1.2006771029e+00 1.2800000000e+04 5.6912654590e-03 9.8414062500e-01
48 -4.7892192332e-01 4.7005183355e-01 -1.2240387774e+00 7.4511685410e-01 -1.2240387774e+00 1.2800000000e+04 5.6706382422e-03 9.8101562500e-01
49 -4.7262934079e-01 4.4748945078e-01 -1.2264121129e+00 7.5378277207e-01 -1.2264121129e+00 1.2800000000e+04 5.6558476904e-03 9.8054687500e-01
50 -4.6767262527e-01 3.6443431456e-01 -1.2483088470e+00 7.8063622175e-01 -1.2483088470e+00 1.2800000000e+04 5.6800922266e-03 9.8234375000e-01
51 -4.6636975394e-01 3.4588927458e-01 -1.2500122084e+00 7.8364245445e-01 -1.2500122084e+00 1.2800000000e+04 5.6784791602e-03 9.8156250000e-01
52 -4.7340448299e-01 3.6920080298e-01 -1.2142966052e+00 7.4089212222e-01 -1.2142966052e+00 1.2800000000e+04 5.6687273438e-03 9.8101562500e-01
53 -4.6410131386e-01 3.5576250892e-01 -1.2586031940e+00 7.9450188013e-01 -1.2586031940e+00 1.2800000000e+04 5.6734189307e-03 9.8015625000e-01
54 -4.7398522240e-01 3.4808041207e-01 -1.2182760652e+00 7.4429084278e-01 -1.2182760652e+00 1.2800000000e+04 5.6647687207e-03 9.8226562500e-01
55 -4.6973064382e-01 4.1783936359e-01 -1.2529045731e+00 7.8317392931e-01 -1.2529045731e+00 1.2800000000e+04 5.6680492139e-03 9.7953125000e-01
56 -4.8051318325e-01 3.5837054225e-01 -1.1903265534e+00 7.0981337011e-01 -1.1903265534e+00 1.2800000000e+04 5.6851897607e-03 9.8351562500e-01
57 -4.7358442645e-01 3.8882840276e-01 -1.2464222454e+00 7.7283781896e-01 -1.2464222454e+00 1.2800000000e+04 5.6729470947e-03 9.8093750000e-01
58 -4.6797251027e-01 3.5570683321e-01 -1.2420086122e+00 7.7403610190e-01 -1.2420086122e+00 1.2800000000e+04 5.6667896240e-03 9.8109375000e-01
59 -4.7336108341e-01 4.3911075089e-01 -1.2489912669e+00 7.7563018346e-01 -1.2489912669e+00 1.2800000000e+04 5.6588971387e-03 9.8085937500e-01
60 -4.7010524077e-01 3.7095203363e-01 -1.2294630398e+00 7.5935779905e-01 -1.2294630398e+00 1.2800000000e+04 5.6748272070e-03 9.8132812500e-01
61 -4.8888142733e-01 4.5891535949e-01 -1.1915875356e+00 7.0270610826e-01 -1.1915875356e+00 1.2800000000e+04 5.6853244141e-03 9.8218750000e-01
62 -4.8525635568e-01 3.6602460001e-01 -1.1847022334e+00 6.9944587774e-01 -1.1847022334e+00 1.2800000000e+04 5.6780488867e-03 9.8273437500e-01
63 -4.8189938854e-01 3.6975394075e-01 -1.2104552811e+00 7.2855589255e-01 -1.2104552811e+00 1.2800000000e+04 5.6788781787e-03 9.8101562500e-01
64 -4.7394042967e-01 5.9840664294e-01 -1.2621385911e+00 7.8819816147e-01 -1.2621385911e+00 1.2800000000e+04 5.6523605615e-03 9.8062500000e-01
65 -4.8408146405e-01 3.6940983178e-01 -1.1779390132e+00 6.9385754910e-01 -1.1779390132e+00 1.2800000000e+04 5.6800606543e-03 9.8156250000e-01
66 -4.8944694168e-01 3.4273706569e-01 -1.1510655743e+00 6.6161863263e-01 -1.1510655743e+00 1.2800000000e+04 5.6902003418e-03 9.8343750000e-01
67 -4.7544175362e-01 3.5822703623e-01 -1.2156426291e+00 7.4020087547e-01 -1.2156426291e+00 1.2800000000e+04 5.6851704346e-03 9.8320312500e-01
68 -4.7082379008e-01 3.4213937064e-01 -1.2433722854e+00 7.7254849535e-01 -1.2433722854e+00 1.2800000000e+04 5.6735666064e-03 9.8125000000e-01
69 -4.8931868561e-01 5.4150488622e-01 -1.2205275503e+00 7.3120886471e-01 -1.2205275503e+00 1.2800000000e+04 5.6640432129e-03 9.8195312500e-01
70 -4.7363202661e-01 3.7487446694e-01 -1.2344930185e+00 7.6086099187e-01 -1.2344930185e+00 1.2800000000e+04 5.6759415479e-03 9.8062500000e-01
71 -4.7396704059e-01 4.4843997533e-01 -1.2316648596e+00 7.5769781896e-01 -1.2316648596e+00 1.2800000000e+04 5.6789271338e-03 9.8007812500e-01
72 -4.6677650666e-01 3.5316664230e-01 -1.2579130734e+00 7.9113656677e-01 -1.2579130734e+00 1.2800000000e+04 5.6858546338e-03 9.8296875000e-01
73 -4.6754574809e-01 3.2766747256e-01 -1.2554877897e+00 7.8794204158e-01 -1.2554877897e+00 1.2800000000e+04 5.6775137256e-03 9.8140625000e-01
74 -4.6595049292e-01 3.5072140271e-01 -1.2370484530e+00 7.7109796008e-01 -1.2370484530e+00 1.2800000000e+04 5.6561619922e-03 9.8085937500e-01
75 -4.7332434803e-01 3.3160116514e-01 -1.2206608068e+00 7.4733645882e-01 -1.2206608068e+00 1.2800000000e+04 5.6756028809e-03 9.8109375000e-01
76 -4.7997767591e-01 4.3546913197e-01 -1.2165205791e+00 7.3654290320e-01 -1.2165205791e+00 1.2800000000e+04 5.6846356152e-03 9.8273437500e-01
77 -4.7608767209e-01 3.4836174142e-01 -1.1994036418e+00 7.2331596971e-01 -1.1994036418e+00 1.2800000000e+04 5.6766419629e-03 9.8164062500e-01
78 -4.7400175878e-01 1.1341273568e+00 -1.2629830478e+00 7.8898128902e-01 -1.2629830478e+00 1.2800000000e+04 5.6578333398e-03 9.7914062500e-01
79 -4.6746493554e-01 3.7920626948e-01 -1.2421081399e+00 7.7464320436e-01 -1.2421081399e+00 1.2800000000e+04 5.6536166504e-03 9.8039062500e-01
80 -4.6807610342e-01 3.2305522703e-01 -1.2504029139e+00 7.8232681050e-01 -1.2504029139e+00 1.2800000000e+04 5.6648730420e-03 9.7976562500e-01
81 -4.7622489334e-01 3.8595623597e-01 -1.2253033048e+00 7.4907841147e-01 -1.2253033048e+00 1.2800000000e+04 5.6801184131e-03 9.8078125000e-01
82 -4.6597880118e-01 3.5478883660e-01 -1.2537599860e+00 7.8778118485e-01 -1.2537599860e+00 1.2800000000e+04 5.6854805518e-03 9.8328125000e-01
83 -4.6556581800e-01 3.3268263324e-01 -1.2617879330e+00 7.9622211504e-01 -1.2617879330e+00 1.2800000000e+04 5.6724181152e-03 9.8062500000e-01
84 -4.7846900592e-01 3.3568016107e-01 -1.2165713544e+00 7.3810234850e-01 -1.2165713544e+00 1.2800000000e+04 5.6618787451e-03 9.8203125000e-01
85 -4.7456189421e-01 3.3775809436e-01 -1.2079346108e+00 7.3337271663e-01 -1.2079346108e+00 1.2800000000e+04 5.6779779150e-03 9.8179687500e-01
86 -4.8114991373e-01 6.6828719809e-01 -1.2069105887e+00 7.2576067498e-01 -1.2069105887e+00 1.2800000000e+04 5.6812068701e-03 9.8156250000e-01
87 -4.7095009503e-01 3.4691367625e-01 -1.2258473854e+00 7.5489729040e-01 -1.2258473854e+00 1.2800000000e+04 5.6825711816e-03 9.8335937500e-01
88 -4.8044761890e-01 3.5862859021e-01 -1.1962849870e+00 7.1583736806e-01 -1.1962849870e+00 1.2800000000e+04 5.6864980615e-03 9.8312500000e-01
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412 -4.7176632481e-01 3.3893079371e-01 -1.2137545245e+00 7.4198819966e-01 -1.2137545245e+00 1.2800000000e+04 5.6781739014e-03 9.8101562500e-01
413 -4.7366752033e-01 4.3042787917e-01 -1.2360607752e+00 7.6239325486e-01 -1.2360607752e+00 1.2800000000e+04 5.6822756445e-03 9.8273437500e-01
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416 -4.7396269362e-01 3.6333456961e-01 -1.2072360365e+00 7.3327334287e-01 -1.2072360365e+00 1.2800000000e+04 5.6648154639e-03 9.8257812500e-01
417 -4.9315497742e-01 3.5052186460e-01 -1.1479838943e+00 6.5482891691e-01 -1.1479838943e+00 1.2800000000e+04 5.6885346045e-03 9.8265625000e-01
418 -4.6704930534e-01 3.4934681593e-01 -1.2510135108e+00 7.8396420545e-01 -1.2510135108e+00 1.2800000000e+04 5.6729690186e-03 9.7992187500e-01
419 -4.7245458477e-01 3.6821725555e-01 -1.2369775343e+00 7.6452294955e-01 -1.2369775343e+00 1.2800000000e+04 5.6849598340e-03 9.8179687500e-01
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421 -4.8327658370e-01 9.3447685762e-01 -1.2204710502e+00 7.3719446650e-01 -1.2204710502e+00 1.2800000000e+04 5.6549789502e-03 9.8125000000e-01
422 -4.7581017969e-01 3.5341012191e-01 -1.2294893834e+00 7.5367920374e-01 -1.2294893834e+00 1.2800000000e+04 5.6782075830e-03 9.8125000000e-01
423 -4.6636153700e-01 3.6201865031e-01 -1.2438421986e+00 7.7748066163e-01 -1.2438421986e+00 1.2800000000e+04 5.6874111963e-03 9.8156250000e-01
424 -4.8099204590e-01 3.3713509867e-01 -1.1940070927e+00 7.1301504680e-01 -1.1940070927e+00 1.2800000000e+04 5.6701607373e-03 9.8000000000e-01
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426 -4.6395853463e-01 3.4055959670e-01 -1.2674035924e+00 8.0344505777e-01 -1.2674035924e+00 1.2800000000e+04 5.6609050391e-03 9.8203125000e-01
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432 -4.7804055276e-01 3.5888876329e-01 -1.1839972886e+00 7.0595673582e-01 -1.1839972886e+00 1.2800000000e+04 5.6836107227e-03 9.8195312500e-01
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442 -4.5944602910e-01 3.4226363535e-01 -1.2607528413e+00 8.0130681217e-01 -1.2607528413e+00 1.2800000000e+04 5.6663620117e-03 9.7984375000e-01
443 -4.6339928634e-01 4.2165852501e-01 -1.2680750970e+00 8.0467581064e-01 -1.2680750970e+00 1.2800000000e+04 5.6863153955e-03 9.8085937500e-01
444 -4.9231268969e-01 3.4623601228e-01 -1.1413829572e+00 6.4907026752e-01 -1.1413829572e+00 1.2800000000e+04 5.6844622607e-03 9.8250000000e-01
445 -4.8090056274e-01 4.1039497650e-01 -1.1994521932e+00 7.1855163047e-01 -1.1994521932e+00 1.2800000000e+04 5.6790333105e-03 9.8289062500e-01
446 -4.6806614393e-01 3.7447421146e-01 -1.2491607217e+00 7.8109457773e-01 -1.2491607217e+00 1.2800000000e+04 5.6719154248e-03 9.8273437500e-01
447 -4.6907748075e-01 3.3092647519e-01 -1.2351555811e+00 7.6607810032e-01 -1.2351555811e+00 1.2800000000e+04 5.6888040039e-03 9.8250000000e-01
448 -4.7823995225e-01 3.4396976103e-01 -1.1990005244e+00 7.2076057211e-01 -1.1990005244e+00 1.2800000000e+04 5.6841071875e-03 9.8148437500e-01
449 -4.6329224634e-01 4.0889154622e-01 -1.2514200377e+00 7.8812779132e-01 -1.2514200377e+00 1.2800000000e+04 5.6832606689e-03 9.8273437500e-01
450 -4.6581704594e-01 3.4839038336e-01 -1.2568701960e+00 7.9105315004e-01 -1.2568701960e+00 1.2800000000e+04 5.6742732617e-03 9.8164062500e-01
451 -4.6519306274e-01 3.6120890981e-01 -1.2824942665e+00 8.1730120379e-01 -1.2824942665e+00 1.2800000000e+04 5.6483501172e-03 9.7976562500e-01
452 -4.6554935644e-01 3.6646602250e-01 -1.2463393867e+00 7.8079003023e-01 -1.2463393867e+00 1.2800000000e+04 5.6741452686e-03 9.8093750000e-01
453 -4.8063511855e-01 3.3811678774e-01 -1.1897513166e+00 7.0911619801e-01 -1.1897513166e+00 1.2800000000e+04 5.6857632471e-03 9.8281250000e-01
454 -4.7497347158e-01 7.1601259580e-01 -1.2788731034e+00 8.0389963184e-01 -1.2788731034e+00 1.2800000000e+04 5.6688722119e-03 9.7929687500e-01
455 -4.8496445412e-01 3.2315357727e-01 -1.1780549576e+00 6.9309050349e-01 -1.1780549576e+00 1.2800000000e+04 5.6909077930e-03 9.8390625000e-01
456 -4.4669504807e-01 3.5251370065e-01 -1.3305603873e+00 8.8386533918e-01 -1.3305603873e+00 1.2800000000e+04 5.6532396777e-03 9.8085937500e-01
457 -4.7000955828e-01 3.8331973632e-01 -1.2454486411e+00 7.7543908281e-01 -1.2454486411e+00 1.2800000000e+04 5.6790165039e-03 9.8187500000e-01
458 -4.6552049646e-01 3.4501987525e-01 -1.2406197652e+00 7.7509926872e-01 -1.2406197652e+00 1.2800000000e+04 5.6860402930e-03 9.8187500000e-01
459 -4.6152316056e-01 3.9295077356e-01 -1.2638926276e+00 8.0236946706e-01 -1.2638926276e+00 1.2800000000e+04 5.6780145117e-03 9.8085937500e-01
460 -4.7323007267e-01 3.4948893160e-01 -1.2177121741e+00 7.4448210139e-01 -1.2177121741e+00 1.2800000000e+04 5.6731964600e-03 9.8093750000e-01
461 -4.6846776797e-01 3.4356053305e-01 -1.2349120080e+00 7.6644424005e-01 -1.2349120080e+00 1.2800000000e+04 5.6888145313e-03 9.8281250000e-01
462 -4.7440079183e-01 3.4119552585e-01 -1.2122220720e+00 7.3782128019e-01 -1.2122220720e+00 1.2800000000e+04 5.6641376855e-03 9.8210937500e-01
463 -4.8326824717e-01 3.4689220579e-01 -1.1942302897e+00 7.1096204250e-01 -1.1942302897e+00 1.2800000000e+04 5.6956532178e-03 9.8406250000e-01
464 -4.7545202616e-01 3.8135868760e-01 -1.2147600174e+00 7.3930799124e-01 -1.2147600174e+00 1.2800000000e+04 5.6866504980e-03 9.8273437500e-01
465 -4.7271756532e-01 7.0053351059e-01 -1.2727399398e+00 8.0002237452e-01 -1.2727399398e+00 1.2800000000e+04 5.6671835889e-03 9.8000000000e-01
466 -4.7979639968e-01 7.2164422077e-01 -1.2308822427e+00 7.5108584298e-01 -1.2308822427e+00 1.2800000000e+04 5.6805842578e-03 9.8078125000e-01
467 -4.7840411740e-01 2.2188506966e+00 -1.2740511731e+00 7.9564705574e-01 -1.2740511731e+00 1.2800000000e+04 5.6515180518e-03 9.7851562500e-01
468 -4.7223812352e-01 4.0469119860e-01 -1.2440652583e+00 7.7182713478e-01 -1.2440652583e+00 1.2800000000e+04 5.6814562988e-03 9.8179687500e-01
469 -4.6841129375e-01 4.0164025002e-01 -1.2496164644e+00 7.8120517064e-01 -1.2496164644e+00 1.2800000000e+04 5.6704690820e-03 9.8031250000e-01
470 -4.7662111675e-01 3.8259536440e-01 -1.2249071408e+00 7.4828602405e-01 -1.2249071408e+00 1.2800000000e+04 5.6847082227e-03 9.8140625000e-01
471 -4.7938143155e-01 3.6597497022e-01 -1.1974982032e+00 7.1811677162e-01 -1.1974982032e+00 1.2800000000e+04 5.6806306787e-03 9.8226562500e-01
472 -4.5471008829e-01 3.4895236536e-01 -1.2779246627e+00 8.2321457442e-01 -1.2779246627e+00 1.2800000000e+04 5.6495011182e-03 9.8015625000e-01
473 -4.7450940316e-01 4.4550871972e-01 -1.2389566400e+00 7.6444723686e-01 -1.2389566400e+00 1.2800000000e+04 5.6794355811e-03 9.8062500000e-01
474 -4.7373461918e-01 3.4240630911e-01 -1.2227827299e+00 7.4904811077e-01 -1.2227827299e+00 1.2800000000e+04 5.6853193213e-03 9.8312500000e-01
475 -4.6641570604e-01 3.5074147091e-01 -1.2575456972e+00 7.9112999112e-01 -1.2575456972e+00 1.2800000000e+04 5.6865679297e-03 9.8171875000e-01
476 -4.6849708421e-01 3.5785880080e-01 -1.2387203316e+00 7.7022324741e-01 -1.2387203316e+00 1.2800000000e+04 5.6846171045e-03 9.8187500000e-01
477 -4.5984048451e-01 3.7054970290e-01 -1.2756927086e+00 8.1585222412e-01 -1.2756927086e+00 1.2800000000e+04 5.6513149707e-03 9.7953125000e-01
478 -4.7718166843e-01 4.4264505181e-01 -1.2387030247e+00 7.6152135631e-01 -1.2387030247e+00 1.2800000000e+04 5.6885494385e-03 9.8281250000e-01
479 -4.6440202108e-01 3.5738313635e-01 -1.2470269767e+00 7.8262495562e-01 -1.2470269767e+00 1.2800000000e+04 5.6816628320e-03 9.8132812500e-01
480 -4.5996853840e-01 3.6048200018e-01 -1.2741451267e+00 8.1417658831e-01 -1.2741451267e+00 1.2800000000e+04 5.6665377832e-03 9.7796875000e-01
481 -4.7773197730e-01 5.2001879604e-01 -1.2408985038e+00 7.6316652646e-01 -1.2408985038e+00 1.2800000000e+04 5.6870339063e-03 9.8289062500e-01
482 -4.6712249724e-01 4.3940361544e-01 -1.2499211475e+00 7.8279865025e-01 -1.2499211475e+00 1.2800000000e+04 5.6644040479e-03 9.8265625000e-01
483 -4.6739691457e-01 3.6535187579e-01 -1.2450740099e+00 7.7767709536e-01 -1.2450740099e+00 1.2800000000e+04 5.6962331641e-03 9.8257812500e-01
484 -4.6727778967e-01 3.4205730031e-01 -1.2439819201e+00 7.7670413041e-01 -1.2439819201e+00 1.2800000000e+04 5.6845587451e-03 9.8242187500e-01
485 -4.7172887189e-01 3.4125566314e-01 -1.2103615865e+00 7.3863271464e-01 -1.2103615865e+00 1.2800000000e+04 5.6867163330e-03 9.8203125000e-01
486 -4.7018631481e-01 6.0276126278e-01 -1.2837246162e+00 8.1353830139e-01 -1.2837246162e+00 1.2800000000e+04 5.6631175635e-03 9.7859375000e-01
487 -4.6773644510e-01 4.0486927592e-01 -1.2432532356e+00 7.7551679048e-01 -1.2432532356e+00 1.2800000000e+04 5.6621246484e-03 9.8210937500e-01
488 -4.8036412366e-01 3.3046145261e-01 -1.1888496982e+00 7.0848557452e-01 -1.1888496982e+00 1.2800000000e+04 5.7027703662e-03 9.8492187500e-01
489 -4.7786873304e-01 4.2289682190e-01 -1.2309002936e+00 7.5303156055e-01 -1.2309002936e+00 1.2800000000e+04 5.6775705078e-03 9.8031250000e-01
490 -4.6447002980e-01 4.6178195389e-01 -1.2873731284e+00 8.2290309858e-01 -1.2873731284e+00 1.2800000000e+04 5.6785305420e-03 9.8132812500e-01
491 -4.6484662564e-01 3.3715746804e-01 -1.2391739476e+00 7.7432732192e-01 -1.2391739476e+00 1.2800000000e+04 5.6795749951e-03 9.8125000000e-01
492 -4.7195831146e-01 3.3933622545e-01 -1.2120288285e+00 7.4007051707e-01 -1.2120288285e+00 1.2800000000e+04 5.6638772852e-03 9.8156250000e-01
493 -4.8688960292e-01 5.1250894858e-01 -1.1911170885e+00 7.0422748556e-01 -1.1911170885e+00 1.2800000000e+04 5.6744347119e-03 9.7992187500e-01
494 -4.8680224364e-01 1.0110884814e+00 -1.2781234913e+00 7.9132124769e-01 -1.2781234913e+00 1.2800000000e+04 5.6659742529e-03 9.7898437500e-01
495 -4.6162704214e-01 3.6866848315e-01 -1.2971423713e+00 8.3551532920e-01 -1.2971423713e+00 1.2800000000e+04 5.6633967285e-03 9.7937500000e-01
496 -4.6981972871e-01 3.4301834873e-01 -1.2164488812e+00 7.4662915248e-01 -1.2164488812e+00 1.2800000000e+04 5.6858003516e-03 9.8375000000e-01
497 -4.7913764272e-01 3.9865868213e-01 -1.2155986592e+00 7.3646101645e-01 -1.2155986592e+00 1.2800000000e+04 5.6564003467e-03 9.8054687500e-01
498 -4.5783827726e-01 3.9034691614e-01 -1.2952001866e+00 8.3736190931e-01 -1.2952001866e+00 1.2800000000e+04 5.6801165576e-03 9.7921875000e-01
499 -4.8458227184e-01 3.5079436039e-01 -1.1631720482e+00 6.7858977632e-01 -1.1631720482e+00 1.2800000000e+04 5.6949552393e-03 9.8359375000e-01

501
labs/lab1_qmc_statistics/size/02_______H2.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
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428 -8.9589848716e-01 1.2433631067e+00 -2.0075883332e+00 1.1116898460e+00 5.6008690402e-01 -3.2811455568e+00 7.1347031963e-01 1.2800000000e+04 1.0668349946e-02 9.8625000000e-01
429 -9.2436864837e-01 1.4255021065e+00 -1.9967588601e+00 1.0723902117e+00 5.4126186469e-01 -3.2514910444e+00 7.1347031963e-01 1.2800000000e+04 1.0693967212e-02 9.8898437500e-01
430 -8.9824193145e-01 1.2960843700e+00 -2.0755447429e+00 1.1773028115e+00 5.6918263463e-01 -3.3581976972e+00 7.1347031963e-01 1.2800000000e+04 1.0670927148e-02 9.8652343750e-01
431 -8.6853775835e-01 1.3817056892e+00 -2.0889997528e+00 1.2204619944e+00 5.7986213645e-01 -3.3823322089e+00 7.1347031963e-01 1.2800000000e+04 1.0695698804e-02 9.8625000000e-01
432 -8.6230439123e-01 1.1551372256e+00 -2.0018980807e+00 1.1395936895e+00 5.7123654353e-01 -3.2866049439e+00 7.1347031963e-01 1.2800000000e+04 1.0674002007e-02 9.8746093750e-01
433 -8.9064787471e-01 1.2593705457e+00 -2.0402168692e+00 1.1495689945e+00 5.6054255305e-01 -3.3142297418e+00 7.1347031963e-01 1.2800000000e+04 1.0662420977e-02 9.8621093750e-01
434 -8.9790998055e-01 1.2880725699e+00 -2.0694669274e+00 1.1715569468e+00 5.9649034506e-01 -3.3794275921e+00 7.1347031963e-01 1.2800000000e+04 1.0664609907e-02 9.8578125000e-01
435 -8.9241583293e-01 1.1520365163e+00 -2.0048231359e+00 1.1124073030e+00 5.7256506301e-01 -3.2908585186e+00 7.1347031963e-01 1.2800000000e+04 1.0687735342e-02 9.8703125000e-01
436 -8.8609099433e-01 1.1611568099e+00 -2.0375801224e+00 1.1514891281e+00 5.5356774233e-01 -3.3046181844e+00 7.1347031963e-01 1.2800000000e+04 1.0671609395e-02 9.8667968750e-01
437 -9.1823911647e-01 1.3835644298e+00 -2.0258465734e+00 1.1076074569e+00 5.7418702822e-01 -3.3135039212e+00 7.1347031963e-01 1.2800000000e+04 1.0680335127e-02 9.8761718750e-01
438 -9.1833523328e-01 1.3897210313e+00 -2.0209985724e+00 1.1026633391e+00 5.6487634245e-01 -3.2993452345e+00 7.1347031963e-01 1.2800000000e+04 1.0698917881e-02 9.8679687500e-01
439 -9.1847127435e-01 1.2577140385e+00 -1.9968972768e+00 1.0784260024e+00 5.6628627412e-01 -3.2766538705e+00 7.1347031963e-01 1.2800000000e+04 1.0676142480e-02 9.8753906250e-01
440 -8.9727471256e-01 1.6731076844e+00 -2.0353004249e+00 1.1380257123e+00 5.7004452868e-01 -3.3188152732e+00 7.1347031963e-01 1.2800000000e+04 1.0667801025e-02 9.8769531250e-01
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443 -8.5821580470e-01 1.2766943507e+00 -2.0572232434e+00 1.1990074387e+00 5.7037735198e-01 -3.3410709150e+00 7.1347031963e-01 1.2800000000e+04 1.0659664961e-02 9.8523437500e-01
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446 -8.7262315022e-01 1.2017319712e+00 -2.0408957227e+00 1.1682725725e+00 5.6328862544e-01 -3.3176546678e+00 7.1347031963e-01 1.2800000000e+04 1.0679488320e-02 9.8750000000e-01
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448 -8.5246521454e-01 1.1941324630e+00 -2.0766834647e+00 1.2242182502e+00 5.7659603472e-01 -3.3667498191e+00 7.1347031963e-01 1.2800000000e+04 1.0672530869e-02 9.8796875000e-01
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450 -9.1898713990e-01 2.4810976504e+00 -2.0731998476e+00 1.1542127077e+00 5.3858961389e-01 -3.3252597811e+00 7.1347031963e-01 1.2800000000e+04 1.0675276650e-02 9.8734375000e-01
451 -9.1337075633e-01 1.5162544065e+00 -2.0661535050e+00 1.1527827487e+00 5.8090943081e-01 -3.3605332555e+00 7.1347031963e-01 1.2800000000e+04 1.0677977466e-02 9.8746093750e-01
452 -8.8248610799e-01 1.4552360001e+00 -1.9980082195e+00 1.1155221115e+00 5.4141966510e-01 -3.2528982042e+00 7.1347031963e-01 1.2800000000e+04 1.0688264629e-02 9.8648437500e-01
453 -9.1863395342e-01 1.3135463962e+00 -2.0132711296e+00 1.0946371762e+00 5.3874622179e-01 -3.2654876710e+00 7.1347031963e-01 1.2800000000e+04 1.0674250264e-02 9.8773437500e-01
454 -9.1490369914e-01 1.2302582686e+00 -2.0186362529e+00 1.1037325537e+00 5.6411218604e-01 -3.2962187586e+00 7.1347031963e-01 1.2800000000e+04 1.0675217588e-02 9.8761718750e-01
455 -8.8778455502e-01 1.3038034023e+00 -2.0389240356e+00 1.1511394806e+00 5.6152276858e-01 -3.3139171238e+00 7.1347031963e-01 1.2800000000e+04 1.0674801807e-02 9.8679687500e-01
456 -9.2522893767e-01 1.5675334111e+00 -2.0955470865e+00 1.1703181488e+00 5.5495317763e-01 -3.3639705838e+00 7.1347031963e-01 1.2800000000e+04 1.0672138105e-02 9.8539062500e-01
457 -9.2523588692e-01 1.3267873441e+00 -2.0083759690e+00 1.0831400821e+00 5.4015192506e-01 -3.2619982137e+00 7.1347031963e-01 1.2800000000e+04 1.0689836943e-02 9.8804687500e-01
458 -9.1339281407e-01 1.3102333778e+00 -2.0385237120e+00 1.1251308980e+00 5.6028579553e-01 -3.3122798272e+00 7.1347031963e-01 1.2800000000e+04 1.0671817417e-02 9.8769531250e-01
459 -8.8311199601e-01 1.2086479227e+00 -2.0340165653e+00 1.1509045693e+00 5.6551929607e-01 -3.3130061810e+00 7.1347031963e-01 1.2800000000e+04 1.0688924033e-02 9.8707031250e-01
460 -9.0552463392e-01 1.7856974892e+00 -2.0149553465e+00 1.1094307126e+00 5.5368380800e-01 -3.2821094741e+00 7.1347031963e-01 1.2800000000e+04 1.0665241948e-02 9.8726562500e-01
461 -8.8771316680e-01 1.6556840985e+00 -2.1112186419e+00 1.2235054751e+00 5.8639334746e-01 -3.4110823090e+00 7.1347031963e-01 1.2800000000e+04 1.0660141978e-02 9.8566406250e-01
462 -8.6923733337e-01 1.2042651093e+00 -2.1125790454e+00 1.2433417120e+00 5.8770642763e-01 -3.4137557926e+00 7.1347031963e-01 1.2800000000e+04 1.0665577495e-02 9.8664062500e-01
463 -9.2390707192e-01 1.4249129496e+00 -2.0761558477e+00 1.1522487758e+00 5.8101507639e-01 -3.3706412437e+00 7.1347031963e-01 1.2800000000e+04 1.0690050054e-02 9.8644531250e-01
464 -9.2186500094e-01 1.4370432040e+00 -2.1025756580e+00 1.1807106570e+00 5.7821391884e-01 -3.3942598965e+00 7.1347031963e-01 1.2800000000e+04 1.0677751035e-02 9.8718750000e-01
465 -9.1856878104e-01 1.2848425870e+00 -2.0333055369e+00 1.1147367559e+00 5.7315639675e-01 -3.3199322533e+00 7.1347031963e-01 1.2800000000e+04 1.0672621758e-02 9.8687500000e-01
466 -8.8738799188e-01 1.8112563175e+00 -2.0424677661e+00 1.1550797742e+00 5.7681695295e-01 -3.3327550387e+00 7.1347031963e-01 1.2800000000e+04 1.0684805737e-02 9.8687500000e-01
467 -8.6430711514e-01 1.1522421822e+00 -2.0536603290e+00 1.1893532139e+00 5.6809904370e-01 -3.3352296923e+00 7.1347031963e-01 1.2800000000e+04 1.0643898008e-02 9.8480468750e-01
468 -8.7946098750e-01 1.1797118160e+00 -1.9565533336e+00 1.0770923461e+00 5.2971060342e-01 -3.1997342566e+00 7.1347031963e-01 1.2800000000e+04 1.0681061074e-02 9.8804687500e-01
469 -9.4240144753e-01 1.7551516268e+00 -2.0730425667e+00 1.1306411191e+00 5.6710481031e-01 -3.3536176966e+00 7.1347031963e-01 1.2800000000e+04 1.0664022090e-02 9.8667968750e-01
470 -8.7252881263e-01 1.2318952721e+00 -2.1021034843e+00 1.2295746716e+00 5.6846097472e-01 -3.3840347786e+00 7.1347031963e-01 1.2800000000e+04 1.0684808013e-02 9.8574218750e-01
471 -8.7082331841e-01 1.1241774052e+00 -1.9453693034e+00 1.0745459850e+00 5.5372827718e-01 -3.2125679002e+00 7.1347031963e-01 1.2800000000e+04 1.0676705918e-02 9.8828125000e-01
472 -8.8932980880e-01 1.2306415991e+00 -2.0450426564e+00 1.1557128476e+00 5.6100537483e-01 -3.3195183509e+00 7.1347031963e-01 1.2800000000e+04 1.0672067334e-02 9.8714843750e-01
473 -8.9679062306e-01 1.5735094509e+00 -2.0339932350e+00 1.1372026120e+00 5.7339303278e-01 -3.3208565874e+00 7.1347031963e-01 1.2800000000e+04 1.0694706719e-02 9.8875000000e-01
474 -9.0202083268e-01 1.2429703057e+00 -2.0298979017e+00 1.1278770691e+00 5.8603849881e-01 -3.3294067202e+00 7.1347031963e-01 1.2800000000e+04 1.0691410586e-02 9.8816406250e-01
475 -9.0166839094e-01 1.2616606799e+00 -2.0615033083e+00 1.1598349173e+00 5.7184509410e-01 -3.3468187220e+00 7.1347031963e-01 1.2800000000e+04 1.0666591484e-02 9.8703125000e-01
476 -8.8284220211e-01 1.1934523675e+00 -2.0595104440e+00 1.1766682419e+00 5.7817158405e-01 -3.3511523477e+00 7.1347031963e-01 1.2800000000e+04 1.0696173276e-02 9.8781250000e-01
477 -8.9908876854e-01 1.3517820440e+00 -2.0676203078e+00 1.1685315392e+00 5.7798069440e-01 -3.3590713218e+00 7.1347031963e-01 1.2800000000e+04 1.0702218008e-02 9.8734375000e-01
478 -8.9433644673e-01 1.2803485496e+00 -2.1088134792e+00 1.2144770324e+00 5.8718077940e-01 -3.4094645782e+00 7.1347031963e-01 1.2800000000e+04 1.0662235088e-02 9.8667968750e-01
479 -9.1471259638e-01 1.2856691177e+00 -2.0418278080e+00 1.1271152116e+00 5.7864640270e-01 -3.3339445303e+00 7.1347031963e-01 1.2800000000e+04 1.0683096162e-02 9.8765625000e-01
480 -9.6206122486e-01 1.4512075267e+00 -2.0008688958e+00 1.0388076709e+00 5.4543036373e-01 -3.2597695792e+00 7.1347031963e-01 1.2800000000e+04 1.0687729731e-02 9.8878906250e-01
481 -8.8807280908e-01 1.2664795039e+00 -2.0727424881e+00 1.1846696790e+00 5.6330170829e-01 -3.3495145160e+00 7.1347031963e-01 1.2800000000e+04 1.0691215288e-02 9.8644531250e-01
482 -8.8855312119e-01 1.4803381545e+00 -1.9916844450e+00 1.1031313238e+00 5.5383040183e-01 -3.2589851664e+00 7.1347031963e-01 1.2800000000e+04 1.0685012539e-02 9.8765625000e-01
483 -9.4764919309e-01 1.3500192496e+00 -1.9649486240e+00 1.0172994309e+00 5.4632162859e-01 -3.2247405722e+00 7.1347031963e-01 1.2800000000e+04 1.0697656465e-02 9.8898437500e-01
484 -8.9802857484e-01 1.2394502582e+00 -2.0784811116e+00 1.1804525368e+00 5.6765837640e-01 -3.3596098077e+00 7.1347031963e-01 1.2800000000e+04 1.0686775308e-02 9.8570312500e-01
485 -9.4685966113e-01 3.6307942124e+00 -2.1979706839e+00 1.2511110228e+00 5.7070431677e-01 -3.4821453203e+00 7.1347031963e-01 1.2800000000e+04 1.0676122104e-02 9.8703125000e-01
486 -9.3282569656e-01 1.3903266046e+00 -2.0497640761e+00 1.1169383795e+00 5.6492640547e-01 -3.3281608012e+00 7.1347031963e-01 1.2800000000e+04 1.0687700420e-02 9.8746093750e-01
487 -8.7641366211e-01 1.1956432755e+00 -2.0586932920e+00 1.1822796299e+00 5.4817674249e-01 -3.3203403541e+00 7.1347031963e-01 1.2800000000e+04 1.0682280654e-02 9.8722656250e-01
488 -8.9217137698e-01 1.6360544204e+00 -2.0499587275e+00 1.1577873505e+00 5.8761809534e-01 -3.3510471424e+00 7.1347031963e-01 1.2800000000e+04 1.0680880308e-02 9.8632812500e-01
489 -8.9388456993e-01 1.3033823648e+00 -2.0410575432e+00 1.1471729733e+00 5.6204993951e-01 -3.3165778023e+00 7.1347031963e-01 1.2800000000e+04 1.0674911309e-02 9.8750000000e-01
490 -8.9371645946e-01 1.2267067995e+00 -2.0705783014e+00 1.1768618420e+00 5.5900511949e-01 -3.3430537405e+00 7.1347031963e-01 1.2800000000e+04 1.0680503491e-02 9.8722656250e-01
491 -8.8724406014e-01 1.2017341555e+00 -2.0103693224e+00 1.1231252623e+00 5.6773739861e-01 -3.2915770407e+00 7.1347031963e-01 1.2800000000e+04 1.0684630166e-02 9.8632812500e-01
492 -8.9291888863e-01 1.2989948408e+00 -2.0820718779e+00 1.1891529893e+00 5.6734609474e-01 -3.3628882923e+00 7.1347031963e-01 1.2800000000e+04 1.0665022754e-02 9.8601562500e-01
493 -9.2230344768e-01 1.3698287989e+00 -2.0159220947e+00 1.0936186471e+00 5.5220183174e-01 -3.2815942461e+00 7.1347031963e-01 1.2800000000e+04 1.0681052197e-02 9.8699218750e-01
494 -8.8095770906e-01 1.1659963120e+00 -2.0279908892e+00 1.1470331801e+00 5.4936801726e-01 -3.2908292261e+00 7.1347031963e-01 1.2800000000e+04 1.0668072822e-02 9.8636718750e-01
495 -9.0466446588e-01 1.2538349268e+00 -2.0438670627e+00 1.1392025968e+00 5.6485193768e-01 -3.3221893200e+00 7.1347031963e-01 1.2800000000e+04 1.0694835850e-02 9.8656250000e-01
496 -8.9487090437e-01 1.4132629608e+00 -2.0189416881e+00 1.1240707838e+00 5.5640307629e-01 -3.2888150841e+00 7.1347031963e-01 1.2800000000e+04 1.0681006616e-02 9.8808593750e-01
497 -9.0530823999e-01 1.7437770342e+00 -2.1115741160e+00 1.2062658760e+00 5.8136277325e-01 -3.4064072088e+00 7.1347031963e-01 1.2800000000e+04 1.0665420542e-02 9.8644531250e-01
498 -8.9434728128e-01 1.3031731955e+00 -2.0419459244e+00 1.1475986432e+00 5.7492831211e-01 -3.3303445562e+00 7.1347031963e-01 1.2800000000e+04 1.0708087197e-02 9.8750000000e-01
499 -9.1634280678e-01 1.2545398997e+00 -2.0712350137e+00 1.1548922069e+00 5.7833163057e-01 -3.3630369639e+00 7.1347031963e-01 1.2800000000e+04 1.0668340713e-02 9.8777343750e-01

501
labs/lab1_qmc_statistics/size/06________C.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb BlockWeight BlockCPU AcceptRatio
0 -3.7397954627e+01 1.4660984604e+03 -7.4070902205e+01 3.6672947578e+01 1.1895849049e+01 -8.5966751254e+01 1.2800000000e+04 2.8245787144e-02 8.3270833333e-01
1 -3.7767876620e+01 1.5279345767e+03 -7.2687643423e+01 3.4919766803e+01 1.1982294489e+01 -8.4669937913e+01 1.2800000000e+04 2.8311696929e-02 8.3223958333e-01
2 -3.7329504988e+01 1.4425156972e+03 -7.1231256699e+01 3.3901751712e+01 1.1916584546e+01 -8.3147841245e+01 1.2800000000e+04 2.8349431597e-02 8.3535156250e-01
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460 -3.7599592152e+01 1.4652163024e+03 -7.2940123937e+01 3.5340531786e+01 1.2107864622e+01 -8.5047988559e+01 1.2800000000e+04 2.8226043750e-02 8.3076822917e-01
461 -3.7801682197e+01 1.4710560180e+03 -7.2115999042e+01 3.4314316844e+01 1.1989217445e+01 -8.4105216487e+01 1.2800000000e+04 2.8266786182e-02 8.3165364583e-01
462 -3.7614932754e+01 1.5151680856e+03 -7.3006846665e+01 3.5391913911e+01 1.2097159714e+01 -8.5104006379e+01 1.2800000000e+04 2.8265491953e-02 8.3151041667e-01
463 -3.7443514513e+01 1.4476994483e+03 -7.3439449001e+01 3.5995934488e+01 1.2131938069e+01 -8.5571387071e+01 1.2800000000e+04 2.8226352085e-02 8.2928385417e-01
464 -3.7400132310e+01 1.4113225867e+03 -6.9135588902e+01 3.1735456592e+01 1.1937463264e+01 -8.1073052166e+01 1.2800000000e+04 2.8306369980e-02 8.3430989583e-01
465 -3.9703765790e+01 3.5296680974e+03 -7.4624407473e+01 3.4920641683e+01 1.2098358667e+01 -8.6722766140e+01 1.2800000000e+04 2.8490386450e-02 8.3295572917e-01
466 -3.8787389576e+01 3.1743411054e+03 -7.5630672065e+01 3.6843282489e+01 1.2145940578e+01 -8.7776612643e+01 1.2800000000e+04 2.8231276426e-02 8.2897135417e-01
467 -3.7524364970e+01 1.4304167211e+03 -7.2360682949e+01 3.4836317979e+01 1.2168103532e+01 -8.4528786481e+01 1.2800000000e+04 2.8220280957e-02 8.2983072917e-01
468 -3.7607490654e+01 1.4845196013e+03 -7.0404017455e+01 3.2796526801e+01 1.2159281415e+01 -8.2563298870e+01 1.2800000000e+04 2.8275401890e-02 8.3126302083e-01
469 -3.7768768822e+01 1.6443408562e+03 -7.1226392097e+01 3.3457623276e+01 1.2099701271e+01 -8.3326093368e+01 1.2800000000e+04 2.8313820215e-02 8.3509114583e-01
470 -3.7726259424e+01 1.5820756205e+03 -7.6913372326e+01 3.9187112902e+01 1.2020776626e+01 -8.8934148953e+01 1.2800000000e+04 2.8255419048e-02 8.3058593750e-01
471 -3.7874878208e+01 1.4962307360e+03 -7.5412163539e+01 3.7537285331e+01 1.2018822177e+01 -8.7430985716e+01 1.2800000000e+04 2.8251010176e-02 8.2848958333e-01
472 -3.7468008828e+01 1.4244089766e+03 -7.1557498123e+01 3.4089489295e+01 1.1998729332e+01 -8.3556227455e+01 1.2800000000e+04 2.8284199644e-02 8.3250000000e-01
473 -3.8592521789e+01 2.2235691969e+03 -7.5746253455e+01 3.7153731665e+01 1.2088787476e+01 -8.7835040931e+01 1.2800000000e+04 2.8265617271e-02 8.3039062500e-01
474 -3.7489858182e+01 1.4342346145e+03 -7.2484240203e+01 3.4994382021e+01 1.2197708747e+01 -8.4681948950e+01 1.2800000000e+04 2.8257052256e-02 8.3035156250e-01
475 -3.7952207356e+01 1.5210408298e+03 -7.2793350595e+01 3.4841143239e+01 1.2011404571e+01 -8.4804755166e+01 1.2800000000e+04 2.8319238477e-02 8.3378906250e-01
476 -3.7529199345e+01 1.4336756067e+03 -7.1702312837e+01 3.4173113492e+01 1.1964748157e+01 -8.3667060994e+01 1.2800000000e+04 2.8292579126e-02 8.3429687500e-01
477 -3.7738948196e+01 1.5400245299e+03 -7.5213327898e+01 3.7474379701e+01 1.2140158217e+01 -8.7353486115e+01 1.2800000000e+04 2.8299067231e-02 8.3311197917e-01
478 -3.7423680576e+01 1.4231503427e+03 -7.3882963363e+01 3.6459282788e+01 1.2014519606e+01 -8.5897482969e+01 1.2800000000e+04 2.8235030718e-02 8.2953125000e-01
479 -3.7465935371e+01 1.4787834556e+03 -7.3357121834e+01 3.5891186463e+01 1.2107938401e+01 -8.5465060235e+01 1.2800000000e+04 2.8251235317e-02 8.2942708333e-01
480 -3.7872728683e+01 1.6301300557e+03 -7.1342610811e+01 3.3469882128e+01 1.2054832657e+01 -8.3397443468e+01 1.2800000000e+04 2.8263752710e-02 8.3283854167e-01
481 -3.7476282360e+01 1.4243531108e+03 -7.2189438551e+01 3.4713156191e+01 1.2096404313e+01 -8.4285842864e+01 1.2800000000e+04 2.8271140459e-02 8.3207031250e-01
482 -3.7295077812e+01 1.4179335101e+03 -7.4347978122e+01 3.7052900310e+01 1.2074305903e+01 -8.6422284025e+01 1.2800000000e+04 2.8251351113e-02 8.2983072917e-01
483 -3.7452906758e+01 1.4258296912e+03 -7.2032915605e+01 3.4580008847e+01 1.1902538433e+01 -8.3935454038e+01 1.2800000000e+04 2.8282537993e-02 8.3178385417e-01
484 -3.7432000196e+01 1.4257670514e+03 -7.0841740078e+01 3.3409739882e+01 1.1925091599e+01 -8.2766831677e+01 1.2800000000e+04 2.8283083691e-02 8.3398437500e-01
485 -3.7541304336e+01 1.4468002813e+03 -7.1355734791e+01 3.3814430455e+01 1.2007683327e+01 -8.3363418118e+01 1.2800000000e+04 2.8284579390e-02 8.3354166667e-01
486 -3.7848696216e+01 1.4957928969e+03 -7.4255767263e+01 3.6407071047e+01 1.1982034848e+01 -8.6237802111e+01 1.2800000000e+04 2.8254108184e-02 8.3066406250e-01
487 -3.7297565873e+01 1.4127625859e+03 -7.2242109897e+01 3.4944544023e+01 1.2000138304e+01 -8.4242248200e+01 1.2800000000e+04 2.8268025269e-02 8.3134114583e-01
488 -3.7322516519e+01 1.4319857465e+03 -7.4642957829e+01 3.7320441310e+01 1.2166556748e+01 -8.6809514577e+01 1.2800000000e+04 2.8246931118e-02 8.3028645833e-01
489 -3.7880106453e+01 1.5500887988e+03 -7.4214579714e+01 3.6334473261e+01 1.2150221947e+01 -8.6364801660e+01 1.2800000000e+04 2.8265537559e-02 8.3132812500e-01
490 -3.7412988442e+01 1.4195146237e+03 -7.1195402420e+01 3.3782413978e+01 1.2018346889e+01 -8.3213749310e+01 1.2800000000e+04 2.8280253945e-02 8.3294270833e-01
491 -3.7762843220e+01 1.5757658798e+03 -7.1941192071e+01 3.4178348850e+01 1.2019014910e+01 -8.3960206980e+01 1.2800000000e+04 2.8250599224e-02 8.3000000000e-01
492 -3.7749674202e+01 1.5403574654e+03 -7.3505610173e+01 3.5755935971e+01 1.2149595181e+01 -8.5655205354e+01 1.2800000000e+04 2.8233598169e-02 8.2908854167e-01
493 -3.7630373186e+01 1.4474388886e+03 -6.9409286664e+01 3.1778913478e+01 1.2078402714e+01 -8.1487689378e+01 1.2800000000e+04 2.8238541050e-02 8.3264322917e-01
494 -3.7555466058e+01 1.4920149078e+03 -7.4197605812e+01 3.6642139754e+01 1.2136918941e+01 -8.6334524754e+01 1.2800000000e+04 2.8241057979e-02 8.3143229167e-01
495 -3.7088040075e+01 1.3998211112e+03 -7.3240507688e+01 3.6152467612e+01 1.2185224043e+01 -8.5425731730e+01 1.2800000000e+04 2.8254608403e-02 8.2938802083e-01
496 -3.7555558026e+01 1.4920601700e+03 -7.0632966846e+01 3.3077408820e+01 1.2007281713e+01 -8.2640248559e+01 1.2800000000e+04 2.8304743550e-02 8.3421875000e-01
497 -3.7572396474e+01 1.5258452945e+03 -7.1971048121e+01 3.4398651647e+01 1.1799327707e+01 -8.3770375828e+01 1.2800000000e+04 2.8275849443e-02 8.3307291667e-01
498 -3.7395694204e+01 1.4216363614e+03 -7.0937892358e+01 3.3542198153e+01 1.2026099853e+01 -8.2963992210e+01 1.2800000000e+04 2.8304670459e-02 8.3346354167e-01
499 -3.7699501034e+01 1.4591010049e+03 -7.1282828243e+01 3.3583327209e+01 1.2134771353e+01 -8.3417599596e+01 1.2800000000e+04 2.8312362334e-02 8.3341145833e-01

501
labs/lab1_qmc_statistics/size/10______CH4.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -3.9237124354e+01 1.6932371312e+03 -8.2253722852e+01 4.3016598497e+01 3.0940747725e+01 -1.2664218956e+02 1.3447718988e+01 1.2800000000e+04 6.0302290361e-02 8.8302343750e-01
1 -3.8809029637e+01 1.5575364033e+03 -8.0090127004e+01 4.1281097367e+01 3.1354069099e+01 -1.2489191509e+02 1.3447718988e+01 1.2800000000e+04 6.0525455503e-02 8.8296875000e-01
2 -3.8851298174e+01 1.5780214867e+03 -8.0168085538e+01 4.1316787365e+01 3.1187984931e+01 -1.2480378946e+02 1.3447718988e+01 1.2800000000e+04 6.0523254233e-02 8.8367968750e-01
3 -3.8948398655e+01 1.5508574097e+03 -8.1884768865e+01 4.2936370210e+01 3.1373812150e+01 -1.2670630000e+02 1.3447718988e+01 1.2800000000e+04 6.0402407651e-02 8.8089062500e-01
4 -3.8499706382e+01 1.5075020478e+03 -7.9088077346e+01 4.0588370963e+01 3.1611381084e+01 -1.2414717742e+02 1.3447718988e+01 1.2800000000e+04 6.0438999502e-02 8.8239843750e-01
5 -3.8791473115e+01 1.5773987429e+03 -8.0519664028e+01 4.1728190913e+01 3.1281546509e+01 -1.2524892952e+02 1.3447718988e+01 1.2800000000e+04 6.0451603276e-02 8.8116406250e-01
6 -3.8678814182e+01 1.5190282703e+03 -7.8113265698e+01 3.9434451516e+01 3.1242202781e+01 -1.2280318747e+02 1.3447718988e+01 1.2800000000e+04 6.0498159233e-02 8.8375781250e-01
7 -3.8668982823e+01 1.5212162294e+03 -7.9022629025e+01 4.0353646202e+01 3.1112772359e+01 -1.2358312037e+02 1.3447718988e+01 1.2800000000e+04 6.0509755376e-02 8.8307812500e-01
8 -3.9272754128e+01 1.7074570671e+03 -8.2511414979e+01 4.3238660851e+01 3.1303227596e+01 -1.2726236156e+02 1.3447718988e+01 1.2800000000e+04 6.0436772085e-02 8.8267187500e-01
9 -3.8594164105e+01 1.5339850404e+03 -8.0225730760e+01 4.1631566655e+01 3.1087245835e+01 -1.2476069558e+02 1.3447718988e+01 1.2800000000e+04 6.0488157427e-02 8.8350781250e-01
10 -3.9041848465e+01 1.5610143265e+03 -8.1565485693e+01 4.2523637228e+01 3.1259695068e+01 -1.2627289975e+02 1.3447718988e+01 1.2800000000e+04 6.0425578530e-02 8.8118750000e-01
11 -3.8837003159e+01 1.5332605137e+03 -8.0253511137e+01 4.1416507978e+01 3.1299201252e+01 -1.2500043138e+02 1.3447718988e+01 1.2800000000e+04 6.0489785771e-02 8.8332031250e-01
12 -3.8449101072e+01 1.5150652466e+03 -8.2294746441e+01 4.3845645369e+01 3.1207211399e+01 -1.2694967683e+02 1.3447718988e+01 1.2800000000e+04 6.0446825947e-02 8.8200000000e-01
13 -3.8796450001e+01 1.5315268665e+03 -8.1586221594e+01 4.2789771593e+01 3.1323898098e+01 -1.2635783868e+02 1.3447718988e+01 1.2800000000e+04 6.0449432476e-02 8.8286718750e-01
14 -3.8980818673e+01 1.6375696868e+03 -7.9015030247e+01 4.0034211574e+01 3.1454175647e+01 -1.2391692488e+02 1.3447718988e+01 1.2800000000e+04 6.0494466509e-02 8.8305468750e-01
15 -3.8643163189e+01 1.5486478090e+03 -8.0550253683e+01 4.1907090494e+01 3.1095651374e+01 -1.2509362405e+02 1.3447718988e+01 1.2800000000e+04 6.0540674580e-02 8.8408593750e-01
16 -3.9180114154e+01 1.6994004033e+03 -8.1446008666e+01 4.2265894512e+01 3.1211122884e+01 -1.2610485054e+02 1.3447718988e+01 1.2800000000e+04 6.0467345000e-02 8.8335937500e-01
17 -3.9135433598e+01 1.5872301467e+03 -8.2091057019e+01 4.2955623421e+01 3.1405449002e+01 -1.2694422501e+02 1.3447718988e+01 1.2800000000e+04 6.0475009609e-02 8.8349218750e-01
18 -3.8596656615e+01 1.5107953451e+03 -7.9998468932e+01 4.1401812317e+01 3.1211547695e+01 -1.2465773561e+02 1.3447718988e+01 1.2800000000e+04 6.0462022300e-02 8.8239062500e-01
19 -3.8668780691e+01 1.5151529929e+03 -7.8181266464e+01 3.9512485773e+01 3.1195279213e+01 -1.2282426467e+02 1.3447718988e+01 1.2800000000e+04 6.0518339814e-02 8.8541406250e-01
20 -3.8520508627e+01 1.5177122144e+03 -8.1798389122e+01 4.3277880495e+01 3.1205225587e+01 -1.2645133370e+02 1.3447718988e+01 1.2800000000e+04 6.0481902402e-02 8.8343750000e-01
21 -3.9725315229e+01 2.0980418541e+03 -8.1357256748e+01 4.1631941519e+01 3.1025177015e+01 -1.2583015275e+02 1.3447718988e+01 1.2800000000e+04 6.0498644146e-02 8.8360156250e-01
22 -3.8834212187e+01 1.5349692855e+03 -7.8673915745e+01 3.9839703558e+01 3.0937359587e+01 -1.2305899432e+02 1.3447718988e+01 1.2800000000e+04 6.0491670342e-02 8.8499218750e-01
23 -3.8939172578e+01 1.6002176246e+03 -8.2093024270e+01 4.3153851692e+01 3.1298214335e+01 -1.2683895759e+02 1.3447718988e+01 1.2800000000e+04 6.0477547935e-02 8.8261718750e-01
24 -3.8627805078e+01 1.5160665243e+03 -7.9219886804e+01 4.0592081726e+01 3.1397315989e+01 -1.2406492178e+02 1.3447718988e+01 1.2800000000e+04 6.0492759785e-02 8.8386718750e-01
25 -3.8796585179e+01 1.5549585453e+03 -7.9866819608e+01 4.1070234429e+01 3.1399083453e+01 -1.2471362205e+02 1.3447718988e+01 1.2800000000e+04 6.0485630781e-02 8.8406250000e-01
26 -3.8580113642e+01 1.5153694978e+03 -8.0414653588e+01 4.1834539946e+01 3.1166825561e+01 -1.2502919814e+02 1.3447718988e+01 1.2800000000e+04 6.0520544292e-02 8.8322656250e-01
27 -3.8998469094e+01 1.5772866422e+03 -8.0004197401e+01 4.1005728307e+01 3.1357278607e+01 -1.2480919500e+02 1.3447718988e+01 1.2800000000e+04 6.0449020498e-02 8.8296875000e-01
28 -3.8930040290e+01 1.5630329967e+03 -7.9069901350e+01 4.0139861061e+01 3.1106578093e+01 -1.2362419843e+02 1.3447718988e+01 1.2800000000e+04 6.0576319385e-02 8.8492968750e-01
29 -3.8822670004e+01 1.5999766630e+03 -8.0424117140e+01 4.1601447135e+01 3.1340629092e+01 -1.2521246522e+02 1.3447718988e+01 1.2800000000e+04 6.0517443306e-02 8.8340625000e-01
30 -3.8966509091e+01 1.5669802455e+03 -7.9999778124e+01 4.1033269032e+01 3.0966642906e+01 -1.2441414002e+02 1.3447718988e+01 1.2800000000e+04 6.0562987900e-02 8.8395312500e-01
31 -3.8800730491e+01 1.5492461823e+03 -8.1863068887e+01 4.3062338396e+01 3.1582805878e+01 -1.2689359375e+02 1.3447718988e+01 1.2800000000e+04 6.0483200757e-02 8.8241406250e-01
32 -3.9741415703e+01 1.9434980796e+03 -8.3370817338e+01 4.3629401635e+01 3.1521504819e+01 -1.2834004114e+02 1.3447718988e+01 1.2800000000e+04 6.0460522607e-02 8.8220312500e-01
33 -3.8530234059e+01 1.5186698645e+03 -8.0260604996e+01 4.1730370937e+01 3.1382199789e+01 -1.2509052377e+02 1.3447718988e+01 1.2800000000e+04 6.0474268760e-02 8.8273437500e-01
34 -3.8876341257e+01 1.6099107056e+03 -7.7729159683e+01 3.8852818426e+01 3.1254420754e+01 -1.2243129942e+02 1.3447718988e+01 1.2800000000e+04 6.0511234644e-02 8.8505468750e-01
35 -3.8720710599e+01 1.5501343881e+03 -8.1840209637e+01 4.3119499038e+01 3.1597885233e+01 -1.2688581386e+02 1.3447718988e+01 1.2800000000e+04 6.0593654941e-02 8.8350781250e-01
36 -3.9034656358e+01 1.6149726185e+03 -8.1118813877e+01 4.2084157519e+01 3.1454645301e+01 -1.2602117817e+02 1.3447718988e+01 1.2800000000e+04 6.0500815083e-02 8.8296093750e-01
37 -3.8697985905e+01 1.5881019121e+03 -8.1055130245e+01 4.2357144340e+01 3.1032961264e+01 -1.2553581050e+02 1.3447718988e+01 1.2800000000e+04 6.0505669131e-02 8.8428125000e-01
38 -3.8472468860e+01 1.5220227271e+03 -8.1457763950e+01 4.2985295091e+01 3.0937301125e+01 -1.2584278406e+02 1.3447718988e+01 1.2800000000e+04 6.0494606733e-02 8.8322656250e-01
39 -3.8408787005e+01 1.4971166352e+03 -7.9970575286e+01 4.1561788282e+01 3.1496279559e+01 -1.2491457383e+02 1.3447718988e+01 1.2800000000e+04 6.0561910249e-02 8.8472656250e-01
40 -3.9202305948e+01 1.7555516714e+03 -8.0647169399e+01 4.1444863451e+01 3.1314758562e+01 -1.2540964695e+02 1.3447718988e+01 1.2800000000e+04 6.0523535845e-02 8.8406250000e-01
41 -3.8930468206e+01 1.5480602257e+03 -8.0959979747e+01 4.2029511541e+01 3.1534769021e+01 -1.2594246776e+02 1.3447718988e+01 1.2800000000e+04 6.0517868901e-02 8.8301562500e-01
42 -3.9312339361e+01 2.0633158953e+03 -8.1376374745e+01 4.2064035384e+01 3.1159792877e+01 -1.2598388661e+02 1.3447718988e+01 1.2800000000e+04 6.0566892358e-02 8.8438281250e-01
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458 -3.8481189500e+01 1.5073911301e+03 -8.0990944566e+01 4.2509755066e+01 3.1660990348e+01 -1.2609965390e+02 1.3447718988e+01 1.2800000000e+04 6.0390786001e-02 8.8243750000e-01
459 -3.9006596316e+01 1.6544988737e+03 -8.2720559231e+01 4.3713962914e+01 3.1456566257e+01 -1.2762484448e+02 1.3447718988e+01 1.2800000000e+04 6.0380099897e-02 8.8008593750e-01
460 -3.9061846842e+01 1.6294070348e+03 -8.1088050834e+01 4.2026203992e+01 3.1540530854e+01 -1.2607630068e+02 1.3447718988e+01 1.2800000000e+04 6.0396611729e-02 8.8199218750e-01
461 -3.8780889187e+01 1.5609018173e+03 -7.9821470055e+01 4.1040580867e+01 3.1437491845e+01 -1.2470668089e+02 1.3447718988e+01 1.2800000000e+04 6.0507462437e-02 8.8469531250e-01
462 -3.8359327525e+01 1.4991409075e+03 -8.1269766624e+01 4.2910439099e+01 3.1516908232e+01 -1.2623439384e+02 1.3447718988e+01 1.2800000000e+04 6.0364757178e-02 8.8310156250e-01
463 -3.8410066725e+01 1.6004564936e+03 -7.9178613505e+01 4.0768546780e+01 3.1467293926e+01 -1.2409362642e+02 1.3447718988e+01 1.2800000000e+04 6.0386599878e-02 8.8301562500e-01
464 -3.9272501833e+01 1.8483020254e+03 -8.0284620630e+01 4.1012118797e+01 3.1565711594e+01 -1.2529805121e+02 1.3447718988e+01 1.2800000000e+04 6.0403769014e-02 8.8329687500e-01
465 -3.8786605023e+01 1.5279367533e+03 -7.9445917551e+01 4.0659312527e+01 3.1381675779e+01 -1.2427531232e+02 1.3447718988e+01 1.2800000000e+04 6.0487199351e-02 8.8459375000e-01
466 -3.8520805632e+01 1.5831254088e+03 -8.2189400298e+01 4.3668594666e+01 3.1078324437e+01 -1.2671544372e+02 1.3447718988e+01 1.2800000000e+04 6.0467219395e-02 8.8477343750e-01
467 -3.8671858509e+01 1.5528127765e+03 -7.9680762386e+01 4.1008903878e+01 3.1704817394e+01 -1.2483329877e+02 1.3447718988e+01 1.2800000000e+04 6.0415200303e-02 8.8310156250e-01
468 -3.8912704570e+01 1.6307433596e+03 -8.0131220771e+01 4.1218516201e+01 3.1353087031e+01 -1.2493202679e+02 1.3447718988e+01 1.2800000000e+04 6.0357839966e-02 8.8245312500e-01
469 -3.8533158750e+01 1.5061291444e+03 -7.8513373983e+01 3.9980215233e+01 3.1692473582e+01 -1.2365356655e+02 1.3447718988e+01 1.2800000000e+04 6.0433602827e-02 8.8344531250e-01
470 -3.9019237034e+01 1.7900819244e+03 -7.9730913867e+01 4.0711676833e+01 3.1511063544e+01 -1.2468969640e+02 1.3447718988e+01 1.2800000000e+04 6.0424702866e-02 8.8332812500e-01
471 -3.8404179362e+01 1.5032943682e+03 -7.9976646787e+01 4.1572467424e+01 3.1339332481e+01 -1.2476369826e+02 1.3447718988e+01 1.2800000000e+04 6.0445681055e-02 8.8264062500e-01
472 -3.8689177422e+01 1.7177525346e+03 -8.0204708498e+01 4.1515531077e+01 3.1380893274e+01 -1.2503332076e+02 1.3447718988e+01 1.2800000000e+04 6.0430979126e-02 8.8325781250e-01
473 -3.9473414434e+01 2.2508805852e+03 -8.1343710337e+01 4.1870295903e+01 3.1310324442e+01 -1.2610175377e+02 1.3447718988e+01 1.2800000000e+04 6.0497033726e-02 8.8590625000e-01
474 -3.8602641079e+01 1.5262126380e+03 -7.9377544878e+01 4.0774903798e+01 3.1216319148e+01 -1.2404158301e+02 1.3447718988e+01 1.2800000000e+04 6.0496009473e-02 8.8469531250e-01
475 -3.8803632101e+01 1.5630635038e+03 -7.8300930032e+01 3.9497297930e+01 3.1236483504e+01 -1.2298513252e+02 1.3447718988e+01 1.2800000000e+04 6.0425394824e-02 8.8478125000e-01
476 -3.8544662577e+01 1.5247671160e+03 -7.9001288652e+01 4.0456626075e+01 3.1268403202e+01 -1.2371741084e+02 1.3447718988e+01 1.2800000000e+04 6.0480991680e-02 8.8401562500e-01
477 -3.8974317837e+01 1.6436768475e+03 -8.1361083593e+01 4.2386765757e+01 3.1329989941e+01 -1.2613879252e+02 1.3447718988e+01 1.2800000000e+04 6.0378746138e-02 8.8310937500e-01
478 -4.1839576243e+01 9.5136250246e+03 -8.5851845667e+01 4.4012269424e+01 3.1480933880e+01 -1.3078049854e+02 1.3447718988e+01 1.2800000000e+04 6.0390660762e-02 8.8303906250e-01
479 -3.9058316743e+01 1.6696769982e+03 -8.2351495741e+01 4.3293178998e+01 3.1601388976e+01 -1.2740060370e+02 1.3447718988e+01 1.2800000000e+04 6.0385739229e-02 8.8057812500e-01
480 -3.8508195835e+01 1.5171871884e+03 -7.9415761092e+01 4.0907565257e+01 3.1502367346e+01 -1.2436584743e+02 1.3447718988e+01 1.2800000000e+04 6.0413828848e-02 8.8382031250e-01
481 -3.8580589476e+01 1.5147385987e+03 -8.0885561288e+01 4.2304971812e+01 3.1446527434e+01 -1.2577980771e+02 1.3447718988e+01 1.2800000000e+04 6.0457875083e-02 8.8398437500e-01
482 -3.9014315966e+01 1.5516294118e+03 -7.7471663428e+01 3.8457347462e+01 3.0854015638e+01 -1.2177339805e+02 1.3447718988e+01 1.2800000000e+04 6.0412994150e-02 8.8578906250e-01
483 -3.8430407882e+01 1.4992855448e+03 -7.7136155365e+01 3.8705747483e+01 3.0967368331e+01 -1.2155124268e+02 1.3447718988e+01 1.2800000000e+04 6.0478853706e-02 8.8594531250e-01
484 -3.8703273645e+01 1.5223015155e+03 -7.8860101050e+01 4.0156827405e+01 3.1054330201e+01 -1.2336215024e+02 1.3447718988e+01 1.2800000000e+04 6.0447813706e-02 8.8503125000e-01
485 -3.8643262099e+01 1.5139744153e+03 -7.9213625388e+01 4.0570363289e+01 3.1369568616e+01 -1.2403091299e+02 1.3447718988e+01 1.2800000000e+04 6.0359148457e-02 8.8262500000e-01
486 -3.8453208958e+01 1.5020577579e+03 -8.0548956941e+01 4.2095747983e+01 3.1557951065e+01 -1.2555462699e+02 1.3447718988e+01 1.2800000000e+04 6.0395174878e-02 8.8103125000e-01
487 -3.8659111502e+01 1.5202245357e+03 -8.0346961805e+01 4.1687850304e+01 3.1331557316e+01 -1.2512623811e+02 1.3447718988e+01 1.2800000000e+04 6.0403425435e-02 8.8341406250e-01
488 -3.8842923546e+01 1.5287275665e+03 -7.8355356385e+01 3.9512432839e+01 3.1264487189e+01 -1.2306756256e+02 1.3447718988e+01 1.2800000000e+04 6.0523240571e-02 8.8550000000e-01
489 -3.8893452249e+01 1.5620124895e+03 -8.1513008471e+01 4.2619556222e+01 3.0967522174e+01 -1.2592824963e+02 1.3447718988e+01 1.2800000000e+04 6.0418817593e-02 8.8432031250e-01
490 -3.8478670785e+01 1.5009096250e+03 -7.8226863767e+01 3.9748192983e+01 3.1268948789e+01 -1.2294353154e+02 1.3447718988e+01 1.2800000000e+04 6.0413715562e-02 8.8390625000e-01
491 -3.8341484003e+01 1.5035604522e+03 -7.9262528805e+01 4.0921044802e+01 3.1353122794e+01 -1.2406337059e+02 1.3447718988e+01 1.2800000000e+04 6.0485812593e-02 8.8470312500e-01
492 -3.8972850771e+01 1.6240076414e+03 -8.2072991326e+01 4.3100140555e+01 3.1462938536e+01 -1.2698364885e+02 1.3447718988e+01 1.2800000000e+04 6.0429320933e-02 8.8355468750e-01
493 -3.8664262330e+01 1.5228600211e+03 -8.0162201502e+01 4.1497939172e+01 3.0872217867e+01 -1.2448213836e+02 1.3447718988e+01 1.2800000000e+04 6.0461507559e-02 8.8511718750e-01
494 -3.9655503916e+01 2.2548107601e+03 -8.2811059169e+01 4.3155555253e+01 3.1128251419e+01 -1.2738702958e+02 1.3447718988e+01 1.2800000000e+04 6.0416292158e-02 8.8380468750e-01
495 -3.8729703868e+01 1.5358975832e+03 -8.0084227983e+01 4.1354524114e+01 3.1441188431e+01 -1.2497313540e+02 1.3447718988e+01 1.2800000000e+04 6.0458749956e-02 8.8540625000e-01
496 -3.9929096074e+01 2.4667024263e+03 -8.3475974448e+01 4.3546878374e+01 3.1451148786e+01 -1.2837484222e+02 1.3447718988e+01 1.2800000000e+04 6.0470646338e-02 8.8363281250e-01
497 -3.9318692101e+01 2.0638427131e+03 -7.9637017842e+01 4.0318325741e+01 3.1304801784e+01 -1.2438953861e+02 1.3447718988e+01 1.2800000000e+04 6.0410070000e-02 8.8443750000e-01
498 -3.9277126085e+01 2.1418996626e+03 -8.1918747221e+01 4.2641621136e+01 3.1182377230e+01 -1.2654884344e+02 1.3447718988e+01 1.2800000000e+04 6.0444990356e-02 8.8253125000e-01
499 -3.8734906276e+01 1.5254695173e+03 -7.8666697289e+01 3.9931791013e+01 3.1195004585e+01 -1.2330942086e+02 1.3447718988e+01 1.2800000000e+04 6.0493772710e-02 8.8465625000e-01

501
labs/lab1_qmc_statistics/size/12_______C2.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -7.4014066638e+01 6.5652414321e+03 -1.4628723725e+02 7.2273170614e+01 3.8599017978e+01 -2.0021928872e+02 1.5333033487e+01 1.2800000000e+04 6.6664854531e-02 8.3214192708e-01
1 -7.2035503488e+01 5.2619866590e+03 -1.3921881830e+02 6.7183314807e+01 3.8511622489e+01 -1.9306347427e+02 1.5333033487e+01 1.2800000000e+04 6.6747818262e-02 8.3392578125e-01
2 -7.3000076807e+01 6.3372066687e+03 -1.3825894893e+02 6.5258872122e+01 3.8320189227e+01 -1.9191217164e+02 1.5333033487e+01 1.2800000000e+04 6.6794972534e-02 8.3597656250e-01
3 -7.1666491515e+01 5.1958474048e+03 -1.3976462892e+02 6.8098137410e+01 3.8348512667e+01 -1.9344617508e+02 1.5333033487e+01 1.2800000000e+04 6.6827581001e-02 8.3487630208e-01
4 -7.2044246795e+01 5.3095430606e+03 -1.4116176648e+02 6.9117519682e+01 3.8527636127e+01 -1.9502243609e+02 1.5333033487e+01 1.2800000000e+04 6.6813911582e-02 8.3526041667e-01
5 -7.2273457092e+01 5.3776708258e+03 -1.3810782397e+02 6.5834366874e+01 3.8418701124e+01 -1.9185955858e+02 1.5333033487e+01 1.2800000000e+04 6.6800935059e-02 8.3498046875e-01
6 -7.1921329464e+01 5.2185051030e+03 -1.4108884447e+02 6.9167515004e+01 3.9039893155e+01 -1.9546177111e+02 1.5333033487e+01 1.2800000000e+04 6.6760909907e-02 8.3315104167e-01
7 -7.1714731222e+01 5.1904030409e+03 -1.4024422466e+02 6.8529493435e+01 3.9003294719e+01 -1.9458055286e+02 1.5333033487e+01 1.2800000000e+04 6.6779861152e-02 8.3307942708e-01
8 -7.1578504070e+01 5.2152132816e+03 -1.4136434345e+02 6.9785839385e+01 3.8684581853e+01 -1.9538195880e+02 1.5333033487e+01 1.2800000000e+04 6.6740953979e-02 8.3336588542e-01
9 -7.2590660000e+01 5.5031529202e+03 -1.4316656153e+02 7.0575901533e+01 3.8512328352e+01 -1.9701192337e+02 1.5333033487e+01 1.2800000000e+04 6.6765777354e-02 8.3317057292e-01
10 -7.1533032586e+01 5.1561844189e+03 -1.3964176623e+02 6.8108733648e+01 3.8754249500e+01 -1.9372904922e+02 1.5333033487e+01 1.2800000000e+04 6.6762784609e-02 8.3322916667e-01
11 -7.1420706862e+01 5.1463982845e+03 -1.3783603245e+02 6.6415325583e+01 3.8490840413e+01 -1.9165990635e+02 1.5333033487e+01 1.2800000000e+04 6.6859518442e-02 8.3608723958e-01
12 -7.1835616516e+01 5.2980605701e+03 -1.4457672867e+02 7.2741112157e+01 3.8653958208e+01 -1.9856372037e+02 1.5333033487e+01 1.2800000000e+04 6.6745706455e-02 8.3332031250e-01
13 -7.1535395765e+01 5.1798486192e+03 -1.3922283450e+02 6.7687438732e+01 3.8496612722e+01 -1.9305248071e+02 1.5333033487e+01 1.2800000000e+04 6.6842223506e-02 8.3555989583e-01
14 -7.1808404739e+01 5.2011466468e+03 -1.3749406138e+02 6.5685656637e+01 3.8643200118e+01 -1.9147029498e+02 1.5333033487e+01 1.2800000000e+04 6.6786441528e-02 8.3399088542e-01
15 -7.1916915366e+01 5.2401021034e+03 -1.3908342953e+02 6.7166514165e+01 3.8602833912e+01 -1.9301929693e+02 1.5333033487e+01 1.2800000000e+04 6.6786631123e-02 8.3427083333e-01
16 -7.1937481488e+01 5.4326173294e+03 -1.4001066542e+02 6.8073183930e+01 3.8647112231e+01 -1.9399081114e+02 1.5333033487e+01 1.2800000000e+04 6.6786536274e-02 8.3460286458e-01
17 -7.2221018153e+01 5.4277600452e+03 -1.3849055846e+02 6.6269540311e+01 3.8483766160e+01 -1.9230735811e+02 1.5333033487e+01 1.2800000000e+04 6.6785004619e-02 8.3390625000e-01
18 -7.9394198676e+01 6.5768557914e+04 -1.5359000378e+02 7.4195805102e+01 3.8144399439e+01 -2.0706743670e+02 1.5333033487e+01 1.2800000000e+04 6.6750106396e-02 8.3363281250e-01
19 -7.2068202896e+01 5.2480045826e+03 -1.4034363162e+02 6.8275428722e+01 3.8543212584e+01 -1.9421987769e+02 1.5333033487e+01 1.2800000000e+04 6.6784853613e-02 8.3506510417e-01
20 -7.2089923243e+01 5.3836823443e+03 -1.4338998689e+02 7.1300063645e+01 3.8588542665e+01 -1.9731156304e+02 1.5333033487e+01 1.2800000000e+04 6.6805914580e-02 8.3391927083e-01
21 -7.2436425209e+01 5.3462191046e+03 -1.4196209697e+02 6.9525671760e+01 3.8420762768e+01 -1.9571589322e+02 1.5333033487e+01 1.2800000000e+04 6.6739815957e-02 8.3343750000e-01
22 -7.1909882439e+01 5.6006106946e+03 -1.4004174115e+02 6.8131858712e+01 3.8520373487e+01 -1.9389514813e+02 1.5333033487e+01 1.2800000000e+04 6.6797326929e-02 8.3425130208e-01
23 -7.2013575333e+01 5.2714363920e+03 -1.3926349902e+02 6.7249923688e+01 3.8483587889e+01 -1.9308012040e+02 1.5333033487e+01 1.2800000000e+04 6.6789871602e-02 8.3468750000e-01
24 -7.1756244453e+01 5.2155458952e+03 -1.4095666454e+02 6.9200420084e+01 3.8295034680e+01 -1.9458473270e+02 1.5333033487e+01 1.2800000000e+04 6.6806100684e-02 8.3499348958e-01
25 -7.1923892674e+01 5.2698448386e+03 -1.4397630294e+02 7.2052410262e+01 3.8309042746e+01 -1.9761837917e+02 1.5333033487e+01 1.2800000000e+04 6.6749838364e-02 8.3289713542e-01
26 -7.2119611459e+01 5.2775806117e+03 -1.4019659926e+02 6.8076987806e+01 3.8374023490e+01 -1.9390365624e+02 1.5333033487e+01 1.2800000000e+04 6.6821667329e-02 8.3585286458e-01
27 -7.2868528093e+01 7.0143680201e+03 -1.3997858083e+02 6.7110052733e+01 3.8594281653e+01 -1.9390589597e+02 1.5333033487e+01 1.2800000000e+04 6.6812891123e-02 8.3470703125e-01
28 -7.3159463570e+01 5.6693713481e+03 -1.4308965997e+02 6.9930196396e+01 3.8405343158e+01 -1.9682803661e+02 1.5333033487e+01 1.2800000000e+04 6.6741775767e-02 8.3296223958e-01
29 -7.2575802647e+01 5.4199957578e+03 -1.4136122760e+02 6.8785424956e+01 3.8501782319e+01 -1.9519604341e+02 1.5333033487e+01 1.2800000000e+04 6.6731442949e-02 8.3254557292e-01
30 -7.2515498007e+01 5.4108754975e+03 -1.4101258416e+02 6.8497086157e+01 3.8320243806e+01 -1.9466586146e+02 1.5333033487e+01 1.2800000000e+04 6.6789346533e-02 8.3488932292e-01
31 -7.1833041359e+01 5.2471626063e+03 -1.3822729896e+02 6.6394257605e+01 3.8593296329e+01 -1.9215362878e+02 1.5333033487e+01 1.2800000000e+04 6.6796505029e-02 8.3492187500e-01
32 -7.2453327035e+01 5.7956607260e+03 -1.3935719158e+02 6.6903864547e+01 3.8510789369e+01 -1.9320101444e+02 1.5333033487e+01 1.2800000000e+04 6.6818934014e-02 8.3516927083e-01
33 -7.2146460509e+01 5.3046792331e+03 -1.3941943242e+02 6.7272971913e+01 3.8271024622e+01 -1.9302349053e+02 1.5333033487e+01 1.2800000000e+04 6.6762665625e-02 8.3382161458e-01
34 -7.1933509328e+01 5.4265978053e+03 -1.4232910012e+02 7.0395590797e+01 3.8871440111e+01 -1.9653357372e+02 1.5333033487e+01 1.2800000000e+04 6.6741029385e-02 8.3315104167e-01
35 -7.3157176441e+01 6.2508523346e+03 -1.4403241122e+02 7.0875234777e+01 3.8252954896e+01 -1.9761839960e+02 1.5333033487e+01 1.2800000000e+04 6.6781456016e-02 8.3401041667e-01
36 -7.1939518901e+01 5.3635938387e+03 -1.3993668210e+02 6.7997163198e+01 3.8282760986e+01 -1.9355247657e+02 1.5333033487e+01 1.2800000000e+04 6.6846206152e-02 8.3586588542e-01
37 -7.2987483518e+01 6.0308612448e+03 -1.4402512283e+02 7.1037639310e+01 3.8421425269e+01 -1.9777958158e+02 1.5333033487e+01 1.2800000000e+04 6.6779418770e-02 8.3373046875e-01
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451 -7.2880682762e+01 5.7970767507e+03 -1.3611628309e+02 6.3235600324e+01 3.8345935094e+01 -1.8979525167e+02 1.5333033487e+01 1.2800000000e+04 6.6777467861e-02 8.3645182292e-01
452 -7.2161309245e+01 5.2817121379e+03 -1.4130939834e+02 6.9148089093e+01 3.8446609461e+01 -1.9508904129e+02 1.5333033487e+01 1.2800000000e+04 6.6733206421e-02 8.3472656250e-01
453 -7.1912778520e+01 5.3322103940e+03 -1.4008451768e+02 6.8171739160e+01 3.8582119482e+01 -1.9399967065e+02 1.5333033487e+01 1.2800000000e+04 6.6673194883e-02 8.3271484375e-01
454 -7.1932547737e+01 5.2278089264e+03 -1.4082364080e+02 6.8891093068e+01 3.8676358453e+01 -1.9483303274e+02 1.5333033487e+01 1.2800000000e+04 6.6646626523e-02 8.3257812500e-01
455 -7.2021556461e+01 5.3409117738e+03 -1.3707675634e+02 6.5055199876e+01 3.8369001415e+01 -1.9077879124e+02 1.5333033487e+01 1.2800000000e+04 6.6735816616e-02 8.3535807292e-01
456 -7.2170828216e+01 5.3407374728e+03 -1.4080810143e+02 6.8637273209e+01 3.8628535938e+01 -1.9476967085e+02 1.5333033487e+01 1.2800000000e+04 6.6737023330e-02 8.3517578125e-01
457 -7.1866771111e+01 5.3105815325e+03 -1.3760694403e+02 6.5740172917e+01 3.8537787862e+01 -1.9147776538e+02 1.5333033487e+01 1.2800000000e+04 6.6703694131e-02 8.3468750000e-01
458 -7.2713495349e+01 5.5557612936e+03 -1.4231241379e+02 6.9598918444e+01 3.8714057911e+01 -1.9635950519e+02 1.5333033487e+01 1.2800000000e+04 6.6691534263e-02 8.3270182292e-01
459 -7.1348300610e+01 5.1416584964e+03 -1.4075572946e+02 6.9407428852e+01 3.8404774022e+01 -1.9449353697e+02 1.5333033487e+01 1.2800000000e+04 6.6713342305e-02 8.3474609375e-01
460 -7.1846738519e+01 5.2583444511e+03 -1.4531874375e+02 7.3472005230e+01 3.8480628404e+01 -1.9913240564e+02 1.5333033487e+01 1.2800000000e+04 6.6659642251e-02 8.3209635417e-01
461 -7.1828059054e+01 5.2103273366e+03 -1.3902774044e+02 6.7199681385e+01 3.8531499699e+01 -1.9289227363e+02 1.5333033487e+01 1.2800000000e+04 6.6726152573e-02 8.3482421875e-01
462 -7.1700355524e+01 5.2046798406e+03 -1.4039488735e+02 6.8694531830e+01 3.8212837849e+01 -1.9394075869e+02 1.5333033487e+01 1.2800000000e+04 6.6694194814e-02 8.3377604167e-01
463 -7.1532647939e+01 5.1680746620e+03 -1.3841037881e+02 6.6877730869e+01 3.8499593609e+01 -1.9224300590e+02 1.5333033487e+01 1.2800000000e+04 6.6680280894e-02 8.3440755208e-01
464 -7.2557163210e+01 5.7247255665e+03 -1.4062396912e+02 6.8066805905e+01 3.8535149128e+01 -1.9449215173e+02 1.5333033487e+01 1.2800000000e+04 6.6695599053e-02 8.3390625000e-01
465 -7.1954907603e+01 5.3392527086e+03 -1.3804775238e+02 6.6092844776e+01 3.8284487061e+01 -1.9166527293e+02 1.5333033487e+01 1.2800000000e+04 6.6712061416e-02 8.3448567708e-01
466 -7.2314123390e+01 5.6347125187e+03 -1.3684493256e+02 6.4530809171e+01 3.8360396351e+01 -1.9053836240e+02 1.5333033487e+01 1.2800000000e+04 6.6740244619e-02 8.3509765625e-01
467 -7.1616330052e+01 5.2148268781e+03 -1.4030157485e+02 6.8685244802e+01 3.8207803161e+01 -1.9384241150e+02 1.5333033487e+01 1.2800000000e+04 6.6662488447e-02 8.3332031250e-01
468 -7.4584567224e+01 7.3367768365e+03 -1.4142456680e+02 6.6839999576e+01 3.8371489765e+01 -1.9512909005e+02 1.5333033487e+01 1.2800000000e+04 6.6697017949e-02 8.3361328125e-01
469 -7.2547140406e+01 5.6807154648e+03 -1.4067760660e+02 6.8130466191e+01 3.8165790038e+01 -1.9417643012e+02 1.5333033487e+01 1.2800000000e+04 6.6668163047e-02 8.3272786458e-01
470 -7.2031447301e+01 5.4263019515e+03 -1.3924583974e+02 6.7214392438e+01 3.8427504635e+01 -1.9300637786e+02 1.5333033487e+01 1.2800000000e+04 6.6713140254e-02 8.3486979167e-01
471 -7.1860853211e+01 5.2373612707e+03 -1.4035131131e+02 6.8490458099e+01 3.8659433314e+01 -1.9434377811e+02 1.5333033487e+01 1.2800000000e+04 6.6694242500e-02 8.3411458333e-01
472 -7.2481520212e+01 5.4082038535e+03 -1.4226370887e+02 6.9782188660e+01 3.8492499264e+01 -1.9608924162e+02 1.5333033487e+01 1.2800000000e+04 6.6706658022e-02 8.3361328125e-01
473 -7.2527749253e+01 5.3795315123e+03 -1.4255058346e+02 7.0022834208e+01 3.8593155820e+01 -1.9647677277e+02 1.5333033487e+01 1.2800000000e+04 6.6670626152e-02 8.3310546875e-01
474 -7.5800611607e+01 1.1708776021e+04 -1.4486721075e+02 6.9066599142e+01 3.8922576026e+01 -1.9912282026e+02 1.5333033487e+01 1.2800000000e+04 6.6718024951e-02 8.3413411458e-01
475 -7.1786726973e+01 5.2373984708e+03 -1.3890895451e+02 6.7122227541e+01 3.8441328673e+01 -1.9268331667e+02 1.5333033487e+01 1.2800000000e+04 6.6707827627e-02 8.3440104167e-01
476 -7.1818709445e+01 5.2159568399e+03 -1.4080829863e+02 6.8989589189e+01 3.8505410688e+01 -1.9464674281e+02 1.5333033487e+01 1.2800000000e+04 6.6629089253e-02 8.3272135417e-01
477 -7.1848084277e+01 5.2668507557e+03 -1.4339685422e+02 7.1548769944e+01 3.8309207718e+01 -1.9703909543e+02 1.5333033487e+01 1.2800000000e+04 6.6681672134e-02 8.3327473958e-01
478 -7.2366630465e+01 5.3241400050e+03 -1.4208948470e+02 6.9722854235e+01 3.8391713304e+01 -1.9581423149e+02 1.5333033487e+01 1.2800000000e+04 6.6725823940e-02 8.3437500000e-01
479 -7.1928760173e+01 5.2285031255e+03 -1.3941066006e+02 6.7481899884e+01 3.8652040419e+01 -1.9339573396e+02 1.5333033487e+01 1.2800000000e+04 6.6735107920e-02 8.3503906250e-01
480 -7.3045844707e+01 6.0657419911e+03 -1.4424775723e+02 7.1201912523e+01 3.8806574939e+01 -1.9838736566e+02 1.5333033487e+01 1.2800000000e+04 6.6637293120e-02 8.3244791667e-01
481 -7.1563996881e+01 5.1597910830e+03 -1.3584210821e+02 6.4278111331e+01 3.8346532758e+01 -1.8952167446e+02 1.5333033487e+01 1.2800000000e+04 6.6775266270e-02 8.3623046875e-01
482 -7.2752315917e+01 5.6743417728e+03 -1.4236988292e+02 6.9617567007e+01 3.8262354542e+01 -1.9596527095e+02 1.5333033487e+01 1.2800000000e+04 6.6684007798e-02 8.3378255208e-01
483 -7.2499983311e+01 5.7504300857e+03 -1.4196029432e+02 6.9460311012e+01 3.8428431288e+01 -1.9572175910e+02 1.5333033487e+01 1.2800000000e+04 6.6712718096e-02 8.3490885417e-01
484 -7.1763051112e+01 5.2206710604e+03 -1.4228559072e+02 7.0522539605e+01 3.8502233763e+01 -1.9612085797e+02 1.5333033487e+01 1.2800000000e+04 6.6752636001e-02 8.3486328125e-01
485 -7.2576437767e+01 5.3541333792e+03 -1.4024162504e+02 6.7665187276e+01 3.8566181314e+01 -1.9414083984e+02 1.5333033487e+01 1.2800000000e+04 6.6689807744e-02 8.3347005208e-01
486 -7.2221861619e+01 5.3683247066e+03 -1.4041678278e+02 6.8194921158e+01 3.8259790373e+01 -1.9400960664e+02 1.5333033487e+01 1.2800000000e+04 6.6712037065e-02 8.3544270833e-01
487 -7.1651013916e+01 5.1909289594e+03 -1.4038385048e+02 6.8732836559e+01 3.8504092557e+01 -1.9422097652e+02 1.5333033487e+01 1.2800000000e+04 6.6725866245e-02 8.3490234375e-01
488 -7.2552064506e+01 5.5126962411e+03 -1.4227487337e+02 6.9722808863e+01 3.8507381130e+01 -1.9611528799e+02 1.5333033487e+01 1.2800000000e+04 6.6691720264e-02 8.3331380208e-01
489 -7.2041977515e+01 5.2533776284e+03 -1.4091272317e+02 6.8870745659e+01 3.8506613009e+01 -1.9475236967e+02 1.5333033487e+01 1.2800000000e+04 6.6625490698e-02 8.3188802083e-01
490 -7.2663940810e+01 5.8576875759e+03 -1.3987774000e+02 6.7213799193e+01 3.8574725625e+01 -1.9378549911e+02 1.5333033487e+01 1.2800000000e+04 6.6743129668e-02 8.3533203125e-01
491 -7.2551284987e+01 5.6544683138e+03 -1.4132133781e+02 6.8770052826e+01 3.8658659964e+01 -1.9531303126e+02 1.5333033487e+01 1.2800000000e+04 6.6689183677e-02 8.3271484375e-01
492 -7.1681216924e+01 5.2020400739e+03 -1.3966911519e+02 6.7987898266e+01 3.8348066788e+01 -1.9335021547e+02 1.5333033487e+01 1.2800000000e+04 6.6718579893e-02 8.3437500000e-01
493 -7.2067557225e+01 5.2444079868e+03 -1.3785092477e+02 6.5783367545e+01 3.8676669874e+01 -1.9186062813e+02 1.5333033487e+01 1.2800000000e+04 6.6710995259e-02 8.3445312500e-01
494 -7.2051044839e+01 5.2673489997e+03 -1.3651461502e+02 6.4463570178e+01 3.8199304239e+01 -1.9004695274e+02 1.5333033487e+01 1.2800000000e+04 6.6791604253e-02 8.3677083333e-01
495 -7.2038163592e+01 5.2628747239e+03 -1.4134503773e+02 6.9306874134e+01 3.8436965284e+01 -1.9511503650e+02 1.5333033487e+01 1.2800000000e+04 6.6785351968e-02 8.3583333333e-01
496 -7.3929605334e+01 6.3952799157e+03 -1.4618960775e+02 7.2260002420e+01 3.8547552363e+01 -2.0007019360e+02 1.5333033487e+01 1.2800000000e+04 6.6687610894e-02 8.3339843750e-01
497 -7.1887681407e+01 5.2211998099e+03 -1.4123935897e+02 6.9351677558e+01 3.8760617319e+01 -1.9533300977e+02 1.5333033487e+01 1.2800000000e+04 6.6717721157e-02 8.3440755208e-01
498 -7.2372781025e+01 5.4153091007e+03 -1.3867128190e+02 6.6298500875e+01 3.8441686549e+01 -1.9244600194e+02 1.5333033487e+01 1.2800000000e+04 6.6733590723e-02 8.3496744792e-01
499 -7.2043603594e+01 5.2584906296e+03 -1.4165371920e+02 6.9610115608e+01 3.8627070199e+01 -1.9561382289e+02 1.5333033487e+01 1.2800000000e+04 6.6678299756e-02 8.3360026042e-01

501
labs/lab1_qmc_statistics/size/16_____C2H4.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -7.5883767444e+01 5.9288889544e+03 -1.5201565754e+02 7.6131890091e+01 6.1957101802e+01 -2.4763672067e+02 3.3663961334e+01 1.2800000000e+04 1.1107393646e-01 8.6455566406e-01
1 -7.5695114157e+01 6.0352359199e+03 -1.4972516685e+02 7.4030052696e+01 6.2627917002e+01 -2.4601704519e+02 3.3663961334e+01 1.2800000000e+04 1.1118505042e-01 8.6582519531e-01
2 -7.5052746817e+01 5.6722916951e+03 -1.4734558530e+02 7.2292838481e+01 6.2310940107e+01 -2.4332048674e+02 3.3663961334e+01 1.2800000000e+04 1.1119292837e-01 8.6520019531e-01
3 -7.5107363310e+01 5.6979751438e+03 -1.4997516847e+02 7.4867805164e+01 6.2586051498e+01 -2.4622518131e+02 3.3663961334e+01 1.2800000000e+04 1.1120109059e-01 8.6561523438e-01
4 -7.5347539603e+01 5.7734907046e+03 -1.4748979797e+02 7.2142258372e+01 6.2210658806e+01 -2.4336441811e+02 3.3663961334e+01 1.2800000000e+04 1.1116347184e-01 8.6586425781e-01
5 -7.4811468615e+01 5.7247885381e+03 -1.5126015285e+02 7.6448684233e+01 6.2616075537e+01 -2.4754018972e+02 3.3663961334e+01 1.2800000000e+04 1.1114915653e-01 8.6423828125e-01
6 -7.4576512784e+01 5.6527495080e+03 -1.5260573370e+02 7.8029220912e+01 6.1957655296e+01 -2.4822735033e+02 3.3663961334e+01 1.2800000000e+04 1.1116736578e-01 8.6483886719e-01
7 -7.6651773148e+01 6.7147797703e+03 -1.5363952458e+02 7.6987751435e+01 6.2345303150e+01 -2.4964878907e+02 3.3663961334e+01 1.2800000000e+04 1.1110590360e-01 8.6363281250e-01
8 -7.5294841394e+01 5.7302673632e+03 -1.5093232038e+02 7.5637478986e+01 6.2508175511e+01 -2.4710445722e+02 3.3663961334e+01 1.2800000000e+04 1.1117247403e-01 8.6603515625e-01
9 -7.5177125415e+01 5.6935250230e+03 -1.4724220812e+02 7.2065082704e+01 6.2503361482e+01 -2.4340953094e+02 3.3663961334e+01 1.2800000000e+04 1.1113524606e-01 8.6471191406e-01
10 -7.5985200452e+01 6.3888636022e+03 -1.5154069676e+02 7.5555496309e+01 6.2210877836e+01 -2.4741553593e+02 3.3663961334e+01 1.2800000000e+04 1.1121819590e-01 8.6584960937e-01
11 -7.7044910372e+01 7.0136682146e+03 -1.5523784219e+02 7.8192931822e+01 6.2582993031e+01 -2.5148479656e+02 3.3663961334e+01 1.2800000000e+04 1.1119024986e-01 8.6601562500e-01
12 -7.4752207148e+01 5.6348032420e+03 -1.4816478437e+02 7.3412577217e+01 6.1979878859e+01 -2.4380862456e+02 3.3663961334e+01 1.2800000000e+04 1.1115117665e-01 8.6525390625e-01
13 -7.6447915919e+01 6.6657694392e+03 -1.5035345044e+02 7.3905534522e+01 6.2109812628e+01 -2.4612722440e+02 3.3663961334e+01 1.2800000000e+04 1.1118994847e-01 8.6623046875e-01
14 -7.5314234780e+01 6.2913152398e+03 -1.5390763703e+02 7.8593402254e+01 6.2176605861e+01 -2.4974820423e+02 3.3663961334e+01 1.2800000000e+04 1.1121809090e-01 8.6557128906e-01
15 -7.5174561113e+01 5.7783689208e+03 -1.5002651866e+02 7.4851957542e+01 6.2455699440e+01 -2.4614617943e+02 3.3663961334e+01 1.2800000000e+04 1.1117882512e-01 8.6580078125e-01
16 -7.5782546176e+01 6.0372753798e+03 -1.5502670512e+02 7.9244158945e+01 6.2166076302e+01 -2.5085674276e+02 3.3663961334e+01 1.2800000000e+04 1.1110982449e-01 8.6489257812e-01
17 -7.4768433795e+01 5.6558124618e+03 -1.4987641291e+02 7.5107979115e+01 6.2310182152e+01 -2.4585055640e+02 3.3663961334e+01 1.2800000000e+04 1.1119493457e-01 8.6667480469e-01
18 -7.5262834663e+01 5.7175749563e+03 -1.5041340168e+02 7.5150567013e+01 6.2589038068e+01 -2.4666640108e+02 3.3663961334e+01 1.2800000000e+04 1.1113296572e-01 8.6458496094e-01
19 -7.5021590690e+01 5.6755795093e+03 -1.5160729180e+02 7.6585701105e+01 6.2019472881e+01 -2.4729072601e+02 3.3663961334e+01 1.2800000000e+04 1.1116027265e-01 8.6483886719e-01
20 -7.5459283076e+01 5.7707021170e+03 -1.5018027621e+02 7.4720993129e+01 6.2027489221e+01 -2.4587172676e+02 3.3663961334e+01 1.2800000000e+04 1.1118342894e-01 8.6569335937e-01
21 -7.5660734226e+01 5.8767334996e+03 -1.5093918238e+02 7.5278448156e+01 6.2496792117e+01 -2.4709993583e+02 3.3663961334e+01 1.2800000000e+04 1.1110673141e-01 8.6372558594e-01
22 -7.5343155254e+01 5.7238795789e+03 -1.4933180582e+02 7.3988650566e+01 6.2278981470e+01 -2.4527474862e+02 3.3663961334e+01 1.2800000000e+04 1.1116177632e-01 8.6396972656e-01
23 -7.5009459712e+01 5.7923995723e+03 -1.5066299650e+02 7.5653536786e+01 6.2293954820e+01 -2.4662091265e+02 3.3663961334e+01 1.2800000000e+04 1.1111380992e-01 8.6383789062e-01
24 -7.9302443451e+01 1.2009274260e+04 -1.5857366830e+02 7.9271224845e+01 6.2628693229e+01 -2.5486632286e+02 3.3663961334e+01 1.2800000000e+04 1.1113678948e-01 8.6425292969e-01
25 -7.4679792538e+01 5.6274298059e+03 -1.5231245200e+02 7.7632659460e+01 6.2253201908e+01 -2.4822961524e+02 3.3663961334e+01 1.2800000000e+04 1.1117081852e-01 8.6480468750e-01
26 -7.7125826666e+01 7.3669965509e+03 -1.5193975038e+02 7.4813923709e+01 6.2183736824e+01 -2.4778744853e+02 3.3663961334e+01 1.2800000000e+04 1.1121808504e-01 8.6666015625e-01
27 -7.5775391294e+01 6.7864429545e+03 -1.5224462030e+02 7.6469229006e+01 6.2163425281e+01 -2.4807200692e+02 3.3663961334e+01 1.2800000000e+04 1.1111179571e-01 8.6413085938e-01
28 -7.4175894536e+01 5.5669875773e+03 -1.5154750913e+02 7.7371614593e+01 6.2370896458e+01 -2.4758236692e+02 3.3663961334e+01 1.2800000000e+04 1.1112594426e-01 8.6438476562e-01
29 -7.4808244313e+01 5.6448678131e+03 -1.4960732826e+02 7.4799083943e+01 6.2263310909e+01 -2.4553460050e+02 3.3663961334e+01 1.2800000000e+04 1.1113756346e-01 8.6454589844e-01
30 -7.5467941160e+01 5.7550670992e+03 -1.5028981360e+02 7.4821872445e+01 6.2051573335e+01 -2.4600534827e+02 3.3663961334e+01 1.2800000000e+04 1.1111189578e-01 8.6393554687e-01
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448 -7.5174457011e+01 5.7141255001e+03 -1.5195055649e+02 7.6776099478e+01 6.2299114811e+01 -2.4791363263e+02 3.3663961334e+01 1.2800000000e+04 1.1110884789e-01 8.6500488281e-01
449 -7.5146627851e+01 5.8026270938e+03 -1.5021511275e+02 7.5068484900e+01 6.2032642919e+01 -2.4591171700e+02 3.3663961334e+01 1.2800000000e+04 1.1107702786e-01 8.6527343750e-01
450 -7.5255715013e+01 5.7453242937e+03 -1.4940854000e+02 7.4152824989e+01 6.2369414584e+01 -2.4544191592e+02 3.3663961334e+01 1.2800000000e+04 1.1110589113e-01 8.6552734375e-01
451 -7.6338066833e+01 6.2524990494e+03 -1.5388379276e+02 7.7545725931e+01 6.2375634827e+01 -2.4992338893e+02 3.3663961334e+01 1.2800000000e+04 1.1116117849e-01 8.6590820313e-01
452 -7.4836612995e+01 5.6668421553e+03 -1.5102078291e+02 7.6184169912e+01 6.2459642828e+01 -2.4714438707e+02 3.3663961334e+01 1.2800000000e+04 1.1105998836e-01 8.6420410156e-01
453 -7.5112020840e+01 5.7066153573e+03 -1.5057172058e+02 7.5459699741e+01 6.2040136255e+01 -2.4627581817e+02 3.3663961334e+01 1.2800000000e+04 1.1106255840e-01 8.6469726563e-01
454 -7.5296248371e+01 6.0514787548e+03 -1.4962984487e+02 7.4333596498e+01 6.2317684051e+01 -2.4561149025e+02 3.3663961334e+01 1.2800000000e+04 1.1108280098e-01 8.6411621094e-01
455 -7.6590036952e+01 6.9990500138e+03 -1.5489603594e+02 7.8305998983e+01 6.2025034276e+01 -2.5058503155e+02 3.3663961334e+01 1.2800000000e+04 1.1103812059e-01 8.6359375000e-01
456 -7.6527240819e+01 6.9052120911e+03 -1.5314694953e+02 7.6619708713e+01 6.2455969838e+01 -2.4926688070e+02 3.3663961334e+01 1.2800000000e+04 1.1109637537e-01 8.6484375000e-01
457 -7.7618335787e+01 6.9590157825e+03 -1.5388560012e+02 7.6267264334e+01 6.1851378971e+01 -2.4940094043e+02 3.3663961334e+01 1.2800000000e+04 1.1114353765e-01 8.6514160156e-01
458 -7.5263755415e+01 5.7997557548e+03 -1.4827047319e+02 7.3006717774e+01 6.2062980730e+01 -2.4399741525e+02 3.3663961334e+01 1.2800000000e+04 1.1111997504e-01 8.6585937500e-01
459 -7.5212301980e+01 5.7582149174e+03 -1.5271418114e+02 7.7501879157e+01 6.2208919074e+01 -2.4858706154e+02 3.3663961334e+01 1.2800000000e+04 1.1110929096e-01 8.6538574219e-01
460 -7.5336103497e+01 5.7386332276e+03 -1.5239628053e+02 7.7060177033e+01 6.2516206559e+01 -2.4857644842e+02 3.3663961334e+01 1.2800000000e+04 1.1111936057e-01 8.6582031250e-01
461 -7.5318419088e+01 5.9053362686e+03 -1.5435093153e+02 7.9032512442e+01 6.2077820414e+01 -2.5009271328e+02 3.3663961334e+01 1.2800000000e+04 1.1114881260e-01 8.6649902344e-01
462 -7.5107830802e+01 5.9974677111e+03 -1.5027406204e+02 7.5166231235e+01 6.2034580051e+01 -2.4597260342e+02 3.3663961334e+01 1.2800000000e+04 1.1111055609e-01 8.6524414062e-01
463 -7.5496856255e+01 6.0700515011e+03 -1.5446699126e+02 7.8970135003e+01 6.1590563356e+01 -2.4972151595e+02 3.3663961334e+01 1.2800000000e+04 1.1104634655e-01 8.6461914062e-01
464 -7.5339359479e+01 5.7959422749e+03 -1.5139111744e+02 7.6051757959e+01 6.2102396547e+01 -2.4715747532e+02 3.3663961334e+01 1.2800000000e+04 1.1104779085e-01 8.6486816406e-01
465 -7.5516365474e+01 5.8995278088e+03 -1.4866178136e+02 7.3145415884e+01 6.2246109507e+01 -2.4457185220e+02 3.3663961334e+01 1.2800000000e+04 1.1112424563e-01 8.6620605469e-01
466 -7.4963220861e+01 5.7891443270e+03 -1.5668019701e+02 8.1716976151e+01 6.2890237288e+01 -2.5323439563e+02 3.3663961334e+01 1.2800000000e+04 1.1102732396e-01 8.6337890625e-01
467 -7.5641119560e+01 6.0229338694e+03 -1.5235474987e+02 7.6713630310e+01 6.2296395802e+01 -2.4831510701e+02 3.3663961334e+01 1.2800000000e+04 1.1105359193e-01 8.6437011719e-01
468 -7.6185268420e+01 6.1833676499e+03 -1.5253692299e+02 7.6351654570e+01 6.2730847298e+01 -2.4893173162e+02 3.3663961334e+01 1.2800000000e+04 1.1107976617e-01 8.6539062500e-01
469 -7.7030366583e+01 6.4401735943e+03 -1.5668371527e+02 7.9653348683e+01 6.2432790568e+01 -2.5278046717e+02 3.3663961334e+01 1.2800000000e+04 1.1109037116e-01 8.6518554687e-01
470 -7.7210821406e+01 7.2142287092e+03 -1.5464501507e+02 7.7434193662e+01 6.2057728599e+01 -2.5036670500e+02 3.3663961334e+01 1.2800000000e+04 1.1103441381e-01 8.6371093750e-01
471 -7.6028323486e+01 6.1604124195e+03 -1.5295128544e+02 7.6922961954e+01 6.2368357834e+01 -2.4898360461e+02 3.3663961334e+01 1.2800000000e+04 1.1104354930e-01 8.6411132813e-01
472 -7.5495186593e+01 5.9540169286e+03 -1.5497204710e+02 7.9476860508e+01 6.2943795045e+01 -2.5157980348e+02 3.3663961334e+01 1.2800000000e+04 1.1098663901e-01 8.6296386719e-01
473 -7.5831637226e+01 6.4607251385e+03 -1.5264224855e+02 7.6810611320e+01 6.2126503624e+01 -2.4843271350e+02 3.3663961334e+01 1.2800000000e+04 1.1102745814e-01 8.6338867188e-01
474 -7.5686074481e+01 5.9171795833e+03 -1.5492147476e+02 7.9235400279e+01 6.2409702548e+01 -2.5099513864e+02 3.3663961334e+01 1.2800000000e+04 1.1107475509e-01 8.6400390625e-01
475 -7.5919629334e+01 5.9506593883e+03 -1.5293168180e+02 7.7012052469e+01 6.2140586441e+01 -2.4873622958e+02 3.3663961334e+01 1.2800000000e+04 1.1103166653e-01 8.6384277344e-01
476 -7.4867277696e+01 5.6973179383e+03 -1.5088548258e+02 7.6018204886e+01 6.2322866271e+01 -2.4687231019e+02 3.3663961334e+01 1.2800000000e+04 1.1103469447e-01 8.6397460938e-01
477 -7.5990227034e+01 6.0039533983e+03 -1.5393624622e+02 7.7946019185e+01 6.2438533215e+01 -2.5003874077e+02 3.3663961334e+01 1.2800000000e+04 1.1109789376e-01 8.6486328125e-01
478 -7.5316742165e+01 5.9054239929e+03 -1.5160760275e+02 7.6290860587e+01 6.2665365684e+01 -2.4793692977e+02 3.3663961334e+01 1.2800000000e+04 1.1108942650e-01 8.6471191406e-01
479 -7.4951603312e+01 5.6631221162e+03 -1.5046462974e+02 7.5513026425e+01 6.2707717080e+01 -2.4683630815e+02 3.3663961334e+01 1.2800000000e+04 1.1109179686e-01 8.6504882812e-01
480 -7.6857473391e+01 1.0043450028e+04 -1.5379362374e+02 7.6936150347e+01 6.2149806480e+01 -2.4960739155e+02 3.3663961334e+01 1.2800000000e+04 1.1108080833e-01 8.6490234375e-01
481 -7.5331799228e+01 5.8333674056e+03 -1.5226945042e+02 7.6937651192e+01 6.2278943983e+01 -2.4821235574e+02 3.3663961334e+01 1.2800000000e+04 1.1104993729e-01 8.6459472656e-01
482 -7.6186483355e+01 6.6556985140e+03 -1.5126630545e+02 7.5079822090e+01 6.2564397643e+01 -2.4749466442e+02 3.3663961334e+01 1.2800000000e+04 1.1101329286e-01 8.6343261719e-01
483 -7.6048569216e+01 6.0675133459e+03 -1.5410350264e+02 7.8054933424e+01 6.2496208801e+01 -2.5026367278e+02 3.3663961334e+01 1.2800000000e+04 1.1106004287e-01 8.6435058594e-01
484 -7.6183560125e+01 7.0223274361e+03 -1.4872362581e+02 7.2540065684e+01 6.2078719537e+01 -2.4446630668e+02 3.3663961334e+01 1.2800000000e+04 1.1117517312e-01 8.6666015625e-01
485 -7.5662242954e+01 6.4596461228e+03 -1.5351162513e+02 7.7849382174e+01 6.2186138224e+01 -2.4936172469e+02 3.3663961334e+01 1.2800000000e+04 1.1111537527e-01 8.6549804687e-01
486 -7.5091994702e+01 5.9027051058e+03 -1.5035913720e+02 7.5267142501e+01 6.2364841157e+01 -2.4638793969e+02 3.3663961334e+01 1.2800000000e+04 1.1105309181e-01 8.6395019531e-01
487 -7.5471227122e+01 5.7590861169e+03 -1.4944471420e+02 7.3973487076e+01 6.2275103953e+01 -2.4538377949e+02 3.3663961334e+01 1.2800000000e+04 1.1103854046e-01 8.6502441406e-01
488 -7.6764436266e+01 7.9623037780e+03 -1.5351980890e+02 7.6755372636e+01 6.1891393226e+01 -2.4907516346e+02 3.3663961334e+01 1.2800000000e+04 1.1107796329e-01 8.6445800781e-01
489 -7.6879451879e+01 8.9313836459e+03 -1.5462202872e+02 7.7742576846e+01 6.2285727374e+01 -2.5057171743e+02 3.3663961334e+01 1.2800000000e+04 1.1101242619e-01 8.6338378906e-01
490 -7.4907959652e+01 5.6803728969e+03 -1.5244078526e+02 7.7532825604e+01 6.2061417237e+01 -2.4816616383e+02 3.3663961334e+01 1.2800000000e+04 1.1106888701e-01 8.6466308594e-01
491 -7.5005105578e+01 5.9267365266e+03 -1.4952610851e+02 7.4521002936e+01 6.1816295611e+01 -2.4500636546e+02 3.3663961334e+01 1.2800000000e+04 1.1107785082e-01 8.6565429688e-01
492 -7.4819741671e+01 5.6415086909e+03 -1.4865733601e+02 7.3837594340e+01 6.2469207630e+01 -2.4479050498e+02 3.3663961334e+01 1.2800000000e+04 1.1108196276e-01 8.6551757812e-01
493 -7.5876001995e+01 6.2498924381e+03 -1.4919546685e+02 7.3319464851e+01 6.2321127590e+01 -2.4518055577e+02 3.3663961334e+01 1.2800000000e+04 1.1114910702e-01 8.6627441406e-01
494 -7.4633766108e+01 5.6222948742e+03 -1.5086072350e+02 7.6226957390e+01 6.2298296713e+01 -2.4682298155e+02 3.3663961334e+01 1.2800000000e+04 1.1108200360e-01 8.6500488281e-01
495 -7.5504058599e+01 5.8067066660e+03 -1.5155785016e+02 7.6053791557e+01 6.2260441547e+01 -2.4748225304e+02 3.3663961334e+01 1.2800000000e+04 1.1138155635e-01 8.6382812500e-01
496 -7.5275161131e+01 5.8093678064e+03 -1.4691369323e+02 7.1638532102e+01 6.2032547085e+01 -2.4261020165e+02 3.3663961334e+01 1.2800000000e+04 1.1107647728e-01 8.6518066406e-01
497 -7.4994221707e+01 5.7837978426e+03 -1.5080478659e+02 7.5810564885e+01 6.2520060665e+01 -2.4698880859e+02 3.3663961334e+01 1.2800000000e+04 1.1113053947e-01 8.6574218750e-01
498 -7.4736157581e+01 5.6422673344e+03 -1.4988116479e+02 7.5145007212e+01 6.2655093965e+01 -2.4620022009e+02 3.3663961334e+01 1.2800000000e+04 1.1109234477e-01 8.6469238281e-01
499 -7.4998596570e+01 5.7455876382e+03 -1.5184505678e+02 7.6846460212e+01 6.1955834978e+01 -2.4746485309e+02 3.3663961334e+01 1.2800000000e+04 1.1111341471e-01 8.6486328125e-01

501
labs/lab1_qmc_statistics/size/18___CH4CH4.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -6.1797308219e+01 4.2102573516e+03 -1.3823128052e+02 7.6433972299e+01 7.1908075820e+01 -2.5113960090e+02 4.1000244566e+01 1.2800000000e+04 1.6457488072e-01 8.8894140625e-01
1 -5.8565052933e+01 3.6284976648e+03 -1.3736413164e+02 7.8799078702e+01 7.4989762227e+01 -2.5335413843e+02 4.1000244566e+01 1.2800000000e+04 1.6449465156e-01 8.8732421875e-01
2 -5.7783824966e+01 3.3991569730e+03 -1.3764491119e+02 7.9861086220e+01 7.5680697005e+01 -2.5432585276e+02 4.1000244566e+01 1.2800000000e+04 1.6445961043e-01 8.8680468750e-01
3 -5.8231656721e+01 3.5477561837e+03 -1.3676416194e+02 7.8532505221e+01 7.4885784360e+01 -2.5265019087e+02 4.1000244566e+01 1.2800000000e+04 1.6450016139e-01 8.8742187500e-01
4 -6.0595435531e+01 7.2574273030e+03 -1.3764570217e+02 7.7050266641e+01 7.4980534773e+01 -2.5362648151e+02 4.1000244566e+01 1.2800000000e+04 1.6452042221e-01 8.8785937500e-01
5 -5.8548131836e+01 3.4835454954e+03 -1.3630212969e+02 7.7753997851e+01 7.4457692322e+01 -2.5176006657e+02 4.1000244566e+01 1.2800000000e+04 1.6448913539e-01 8.8732031250e-01
6 -5.8142437226e+01 3.5330246865e+03 -1.3920091810e+02 8.1058480875e+01 7.5017116442e+01 -2.5521827911e+02 4.1000244566e+01 1.2800000000e+04 1.6447955858e-01 8.8710937500e-01
7 -5.7876389751e+01 3.4052917533e+03 -1.3738457924e+02 7.9508189488e+01 7.5076109801e+01 -2.5346093361e+02 4.1000244566e+01 1.2800000000e+04 1.6444790016e-01 8.8691015625e-01
8 -5.8514273246e+01 3.7488168038e+03 -1.3488095276e+02 7.6366679510e+01 7.4651933224e+01 -2.5053313055e+02 4.1000244566e+01 1.2800000000e+04 1.6452215395e-01 8.8800390625e-01
9 -5.7810783745e+01 3.4102944164e+03 -1.3558873667e+02 7.7777952929e+01 7.4678598451e+01 -2.5126757969e+02 4.1000244566e+01 1.2800000000e+04 1.6454030312e-01 8.8794531250e-01
10 -5.8210830860e+01 3.4422493602e+03 -1.3613160233e+02 7.7920771475e+01 7.5051513221e+01 -2.5218336012e+02 4.1000244566e+01 1.2800000000e+04 1.6444139462e-01 8.8651562500e-01
11 -5.9265888067e+01 4.1685825984e+03 -1.3843124017e+02 7.9165352104e+01 7.4841553089e+01 -2.5427303783e+02 4.1000244566e+01 1.2800000000e+04 1.6457602155e-01 8.8870312500e-01
12 -5.7736032355e+01 3.4303808290e+03 -1.3675915568e+02 7.9023123326e+01 7.5395102919e+01 -2.5315450317e+02 4.1000244566e+01 1.2800000000e+04 1.6446677029e-01 8.8715234375e-01
13 -5.8172975756e+01 3.5547516225e+03 -1.3833814279e+02 8.0165167036e+01 7.5077570687e+01 -2.5441595805e+02 4.1000244566e+01 1.2800000000e+04 1.6444545652e-01 8.8675000000e-01
14 -5.8003034677e+01 3.4207935738e+03 -1.3389497186e+02 7.5891937186e+01 7.4807766601e+01 -2.4970298303e+02 4.1000244566e+01 1.2800000000e+04 1.6443476774e-01 8.8668359375e-01
15 -5.7927320764e+01 3.4044336967e+03 -1.3519972918e+02 7.7272408415e+01 7.4732907769e+01 -2.5093288151e+02 4.1000244566e+01 1.2800000000e+04 1.6453455413e-01 8.8775781250e-01
16 -5.9153447844e+01 3.8768988551e+03 -1.3852339905e+02 7.9369951204e+01 7.4322838015e+01 -2.5384648163e+02 4.1000244566e+01 1.2800000000e+04 1.6447788286e-01 8.8718750000e-01
17 -5.8959167520e+01 3.9047751542e+03 -1.3834888178e+02 7.9389714263e+01 7.5018121088e+01 -2.5436724744e+02 4.1000244566e+01 1.2800000000e+04 1.6446857958e-01 8.8657812500e-01
18 -5.9318549013e+01 4.5486644995e+03 -1.3673255048e+02 7.7414001470e+01 7.4833912337e+01 -2.5256670739e+02 4.1000244566e+01 1.2800000000e+04 1.6449056461e-01 8.8694921875e-01
19 -5.8920313193e+01 3.8656506435e+03 -1.3732256733e+02 7.8402254137e+01 7.5241252874e+01 -2.5356406477e+02 4.1000244566e+01 1.2800000000e+04 1.6449779583e-01 8.8740625000e-01
20 -5.7992823826e+01 3.5517536651e+03 -1.3655615362e+02 7.8563329797e+01 7.5290794572e+01 -2.5284719276e+02 4.1000244566e+01 1.2800000000e+04 1.6451312111e-01 8.8746093750e-01
21 -5.8284723972e+01 3.5248727802e+03 -1.3556624051e+02 7.7281516542e+01 7.4748560303e+01 -2.5131504538e+02 4.1000244566e+01 1.2800000000e+04 1.6453016975e-01 8.8833984375e-01
22 -5.9208305083e+01 4.1381790913e+03 -1.3934772693e+02 8.0139421847e+01 7.4900582998e+01 -2.5524855449e+02 4.1000244566e+01 1.2800000000e+04 1.6452866655e-01 8.8785546875e-01
23 -5.9808682580e+01 4.5283063801e+03 -1.4202246754e+02 8.2213784957e+01 7.4956994044e+01 -2.5797970615e+02 4.1000244566e+01 1.2800000000e+04 1.6453244447e-01 8.8813281250e-01
24 -5.8112145191e+01 3.4426426352e+03 -1.3508009767e+02 7.6967952481e+01 7.4851860616e+01 -2.5093220285e+02 4.1000244566e+01 1.2800000000e+04 1.6459482745e-01 8.8858593750e-01
25 -5.8106363656e+01 3.4516285708e+03 -1.3701161642e+02 7.8905252766e+01 7.5311086545e+01 -2.5332294753e+02 4.1000244566e+01 1.2800000000e+04 1.6442926779e-01 8.8656640625e-01
26 -5.8530700085e+01 3.5529600060e+03 -1.3943609005e+02 8.0905389968e+01 7.5337999087e+01 -2.5577433371e+02 4.1000244566e+01 1.2800000000e+04 1.6448506545e-01 8.8725000000e-01
27 -5.8467091965e+01 3.5979029809e+03 -1.3833861601e+02 7.9871524047e+01 7.5228362722e+01 -2.5456722330e+02 4.1000244566e+01 1.2800000000e+04 1.6440234560e-01 8.8641796875e-01
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441 -6.0247877136e+01 5.8810352250e+03 -1.3908917194e+02 7.8841294804e+01 7.5088739079e+01 -2.5517815559e+02 4.1000244566e+01 1.2800000000e+04 1.6444886126e-01 8.8741796875e-01
442 -5.8502806639e+01 3.6605951985e+03 -1.3549154092e+02 7.6988734284e+01 7.5172334971e+01 -2.5166412046e+02 4.1000244566e+01 1.2800000000e+04 1.6448775806e-01 8.8755078125e-01
443 -5.7861474375e+01 3.4286688271e+03 -1.4200296213e+02 8.4141487756e+01 7.4897452125e+01 -2.5790065882e+02 4.1000244566e+01 1.2800000000e+04 1.6436448973e-01 8.8583203125e-01
444 -5.8392497461e+01 3.5489711904e+03 -1.3656449098e+02 7.8171993524e+01 7.4797997055e+01 -2.5236273261e+02 4.1000244566e+01 1.2800000000e+04 1.6445964707e-01 8.8800390625e-01
445 -5.8330930957e+01 3.6537309988e+03 -1.3593075019e+02 7.7599819231e+01 7.4899420071e+01 -2.5183041483e+02 4.1000244566e+01 1.2800000000e+04 1.6453275339e-01 8.8918359375e-01
446 -5.7996277481e+01 3.4325394125e+03 -1.3643527871e+02 7.8439001231e+01 7.5244325761e+01 -2.5267984904e+02 4.1000244566e+01 1.2800000000e+04 1.6440667097e-01 8.8633984375e-01
447 -5.8154596019e+01 3.4483338355e+03 -1.3497208712e+02 7.6817491105e+01 7.4973591454e+01 -2.5094592314e+02 4.1000244566e+01 1.2800000000e+04 1.6457909007e-01 8.8992968750e-01
448 -5.8470392855e+01 3.7747350052e+03 -1.3883324736e+02 8.0362854508e+01 7.5531023964e+01 -2.5536451589e+02 4.1000244566e+01 1.2800000000e+04 1.6451318697e-01 8.8828906250e-01
449 -5.7947459400e+01 3.4526029874e+03 -1.3707588460e+02 7.9128425200e+01 7.5050011481e+01 -2.5312614065e+02 4.1000244566e+01 1.2800000000e+04 1.6443148837e-01 8.8708203125e-01
450 -5.8046000882e+01 3.4793322957e+03 -1.3571817828e+02 7.7672177394e+01 7.4971444703e+01 -2.5168986755e+02 4.1000244566e+01 1.2800000000e+04 1.6448752197e-01 8.8773828125e-01
451 -5.8766169944e+01 3.5771890920e+03 -1.3683334203e+02 7.8067172085e+01 7.4433795201e+01 -2.5226738180e+02 4.1000244566e+01 1.2800000000e+04 1.6445465778e-01 8.8742187500e-01
452 -6.7598754843e+01 3.8273436674e+04 -1.5007221973e+02 8.2473464892e+01 7.4720590335e+01 -2.6579305464e+02 4.1000244566e+01 1.2800000000e+04 1.6448944028e-01 8.8716796875e-01
453 -5.7708602084e+01 3.3793890963e+03 -1.3695657489e+02 7.9247972806e+01 7.5268149624e+01 -2.5322496908e+02 4.1000244566e+01 1.2800000000e+04 1.6444311140e-01 8.8700781250e-01
454 -5.8119689967e+01 3.4390080939e+03 -1.3950978026e+02 8.1390090293e+01 7.4876497871e+01 -2.5538652270e+02 4.1000244566e+01 1.2800000000e+04 1.6443240539e-01 8.8693750000e-01
455 -5.9725268130e+01 4.4087534792e+03 -1.3754103681e+02 7.7815768677e+01 7.4763260760e+01 -2.5330454213e+02 4.1000244566e+01 1.2800000000e+04 1.6443680563e-01 8.8722265625e-01
456 -5.8120585433e+01 3.4537921632e+03 -1.3542960890e+02 7.7309023468e+01 7.4968545706e+01 -2.5139839917e+02 4.1000244566e+01 1.2800000000e+04 1.6450431864e-01 8.8861328125e-01
457 -5.8634379587e+01 3.5438016714e+03 -1.3897292122e+02 8.0338541629e+01 7.4483346153e+01 -2.5445651194e+02 4.1000244566e+01 1.2800000000e+04 1.6449188242e-01 8.8781250000e-01
458 -5.8272338811e+01 3.4702293775e+03 -1.3879532289e+02 8.0522984080e+01 7.5140222522e+01 -2.5493578998e+02 4.1000244566e+01 1.2800000000e+04 1.6443686340e-01 8.8653515625e-01
459 -5.8225183604e+01 3.5732482151e+03 -1.3891558932e+02 8.0690405711e+01 7.5320830983e+01 -2.5523666487e+02 4.1000244566e+01 1.2800000000e+04 1.6440028838e-01 8.8614062500e-01
460 -5.8044212916e+01 3.4821687368e+03 -1.3777773843e+02 7.9733525515e+01 7.4800528560e+01 -2.5357851156e+02 4.1000244566e+01 1.2800000000e+04 1.6437095252e-01 8.8649609375e-01
461 -5.8413460063e+01 3.5315927837e+03 -1.3566935460e+02 7.7255894533e+01 7.4909518507e+01 -2.5157911767e+02 4.1000244566e+01 1.2800000000e+04 1.6449465505e-01 8.8803906250e-01
462 -5.7881500647e+01 3.4603761616e+03 -1.3806520732e+02 8.0183706675e+01 7.5359259211e+01 -2.5442471110e+02 4.1000244566e+01 1.2800000000e+04 1.6440443830e-01 8.8667187500e-01
463 -5.8955963627e+01 3.7059311573e+03 -1.3907728638e+02 8.0121322752e+01 7.5056805868e+01 -2.5513433681e+02 4.1000244566e+01 1.2800000000e+04 1.6441581677e-01 8.8671484375e-01
464 -5.8495933066e+01 3.5510599146e+03 -1.3492568909e+02 7.6429756026e+01 7.4576847508e+01 -2.5050278117e+02 4.1000244566e+01 1.2800000000e+04 1.6445547618e-01 8.8764062500e-01
465 -5.9382593273e+01 3.8275594506e+03 -1.4103630920e+02 8.1653715928e+01 7.4981700435e+01 -2.5701825420e+02 4.1000244566e+01 1.2800000000e+04 1.6442564416e-01 8.8721484375e-01
466 -5.7859741733e+01 3.4039713645e+03 -1.3776912017e+02 7.9909378440e+01 7.4798626472e+01 -2.5356799121e+02 4.1000244566e+01 1.2800000000e+04 1.6447711632e-01 8.8784375000e-01
467 -5.8340841859e+01 3.4512953275e+03 -1.3723104800e+02 7.8890206141e+01 7.4970246696e+01 -2.5320153926e+02 4.1000244566e+01 1.2800000000e+04 1.6440095274e-01 8.8649218750e-01
468 -5.8592988410e+01 3.5629860182e+03 -1.3814342603e+02 7.9550437623e+01 7.4924700513e+01 -2.5406837111e+02 4.1000244566e+01 1.2800000000e+04 1.6442336373e-01 8.8698437500e-01
469 -5.8602546587e+01 4.0249719583e+03 -1.3773671893e+02 7.9134172345e+01 7.5097986110e+01 -2.5383494961e+02 4.1000244566e+01 1.2800000000e+04 1.6445320270e-01 8.8744140625e-01
470 -5.8828472218e+01 4.0891799569e+03 -1.3797861477e+02 7.9150142555e+01 7.5075771875e+01 -2.5405463122e+02 4.1000244566e+01 1.2800000000e+04 1.6442956763e-01 8.8704687500e-01
471 -5.8245120856e+01 3.7091464423e+03 -1.3660234313e+02 7.8357222270e+01 7.5043546488e+01 -2.5264613418e+02 4.1000244566e+01 1.2800000000e+04 1.6446107311e-01 8.8747656250e-01
472 -5.7723038529e+01 3.3837516584e+03 -1.3775580242e+02 8.0032763892e+01 7.4958104787e+01 -2.5371415177e+02 4.1000244566e+01 1.2800000000e+04 1.6448382817e-01 8.8740625000e-01
473 -5.8837193007e+01 3.8664586582e+03 -1.3692825952e+02 7.8091066510e+01 7.4946801513e+01 -2.5287530560e+02 4.1000244566e+01 1.2800000000e+04 1.6449296990e-01 8.8802734375e-01
474 -5.8595505721e+01 3.6105138306e+03 -1.3818197353e+02 7.9586467812e+01 7.5187673733e+01 -2.5436989183e+02 4.1000244566e+01 1.2800000000e+04 1.6439248680e-01 8.8603515625e-01
475 -5.7402252104e+01 3.3747746515e+03 -1.3732410325e+02 7.9921851150e+01 7.5362415227e+01 -2.5368676305e+02 4.1000244566e+01 1.2800000000e+04 1.6445526878e-01 8.8755859375e-01
476 -5.8131203355e+01 3.7813054757e+03 -1.3323101276e+02 7.5099809403e+01 7.5050240247e+01 -2.4928149757e+02 4.1000244566e+01 1.2800000000e+04 1.6450162534e-01 8.8864453125e-01
477 -5.9119740685e+01 4.7252727006e+03 -1.3665876322e+02 7.7539022534e+01 7.4801175831e+01 -2.5246018362e+02 4.1000244566e+01 1.2800000000e+04 1.6444763499e-01 8.8768359375e-01
478 -5.8104404846e+01 3.4587134472e+03 -1.3651080067e+02 7.8406395827e+01 7.5075317077e+01 -2.5258636232e+02 4.1000244566e+01 1.2800000000e+04 1.6442308379e-01 8.8680859375e-01
479 -5.8080880266e+01 3.4296575081e+03 -1.3499748364e+02 7.6916603371e+01 7.5181040233e+01 -2.5117876844e+02 4.1000244566e+01 1.2800000000e+04 1.6449609816e-01 8.8757031250e-01
480 -5.7742945353e+01 3.4072867657e+03 -1.3389652552e+02 7.6153580164e+01 7.5277930038e+01 -2.5017470012e+02 4.1000244566e+01 1.2800000000e+04 1.6446835287e-01 8.8780078125e-01
481 -5.9904515264e+01 4.4991436953e+03 -1.4001828997e+02 8.0113774709e+01 7.4762497934e+01 -2.5578103247e+02 4.1000244566e+01 1.2800000000e+04 1.6461961559e-01 8.8693750000e-01
482 -5.8617287447e+01 3.6319246348e+03 -1.3888454862e+02 8.0267261175e+01 7.5010760609e+01 -2.5489555380e+02 4.1000244566e+01 1.2800000000e+04 1.6439578570e-01 8.8691796875e-01
483 -5.7952602259e+01 3.4175292338e+03 -1.3524229746e+02 7.7289695205e+01 7.4988307385e+01 -2.5123084942e+02 4.1000244566e+01 1.2800000000e+04 1.6444589865e-01 8.8672656250e-01
484 -5.8551391446e+01 3.5496544123e+03 -1.3585320245e+02 7.7301811001e+01 7.5098118576e+01 -2.5195156559e+02 4.1000244566e+01 1.2800000000e+04 1.6446905302e-01 8.8763281250e-01
485 -5.7917449008e+01 3.4210589689e+03 -1.3763053085e+02 7.9713081843e+01 7.5210998336e+01 -2.5384177375e+02 4.1000244566e+01 1.2800000000e+04 1.6444985023e-01 8.8673046875e-01
486 -5.8278233038e+01 3.4688866876e+03 -1.3812641967e+02 7.9848186634e+01 7.4101882769e+01 -2.5322854701e+02 4.1000244566e+01 1.2800000000e+04 1.6445378703e-01 8.8755078125e-01
487 -6.0992105122e+01 7.1759375220e+03 -1.4171874702e+02 8.0726641895e+01 7.5287287556e+01 -2.5800627914e+02 4.1000244566e+01 1.2800000000e+04 1.6445079454e-01 8.8713281250e-01
488 -5.9460440570e+01 4.6662529319e+03 -1.3719260869e+02 7.7732168119e+01 7.5122353516e+01 -2.5331520677e+02 4.1000244566e+01 1.2800000000e+04 1.6438879222e-01 8.8628515625e-01
489 -5.8411116386e+01 3.7221568370e+03 -1.3664908826e+02 7.8237971877e+01 7.4983796768e+01 -2.5263312960e+02 4.1000244566e+01 1.2800000000e+04 1.6447663161e-01 8.8815625000e-01
490 -5.8173389891e+01 3.4675309790e+03 -1.3603779905e+02 7.7864409156e+01 7.5224102540e+01 -2.5226214615e+02 4.1000244566e+01 1.2800000000e+04 1.6444106096e-01 8.8720312500e-01
491 -5.8223594549e+01 3.4686549426e+03 -1.3348226771e+02 7.5258673165e+01 7.4836996491e+01 -2.4931950877e+02 4.1000244566e+01 1.2800000000e+04 1.6447338248e-01 8.8750781250e-01
492 -5.8171454305e+01 3.5871775012e+03 -1.4058642298e+02 8.2414968679e+01 7.4720655008e+01 -2.5630732256e+02 4.1000244566e+01 1.2800000000e+04 1.6446307475e-01 8.8706250000e-01
493 -5.8349486057e+01 3.6266240921e+03 -1.3554530535e+02 7.7195819295e+01 7.4586867402e+01 -2.5113241732e+02 4.1000244566e+01 1.2800000000e+04 1.6448231972e-01 8.8785546875e-01
494 -5.8179902884e+01 3.4393164742e+03 -1.3702179848e+02 7.8841895594e+01 7.4618464133e+01 -2.5264050718e+02 4.1000244566e+01 1.2800000000e+04 1.6444941543e-01 8.8716015625e-01
495 -5.8736444510e+01 4.1772626309e+03 -1.4003861307e+02 8.1302168564e+01 7.5265475660e+01 -2.5630433330e+02 4.1000244566e+01 1.2800000000e+04 1.6431433894e-01 8.8591796875e-01
496 -5.7958215585e+01 3.4464912148e+03 -1.3778788197e+02 7.9829666390e+01 7.5184806962e+01 -2.5397293350e+02 4.1000244566e+01 1.2800000000e+04 1.6438790721e-01 8.8633593750e-01
497 -5.7812738516e+01 3.4963337447e+03 -1.3377352357e+02 7.5960785053e+01 7.5011896267e+01 -2.4978566440e+02 4.1000244566e+01 1.2800000000e+04 1.6451524483e-01 8.8797656250e-01
498 -5.7647710891e+01 3.3745791524e+03 -1.3868936841e+02 8.1041657515e+01 7.5285509577e+01 -2.5497512255e+02 4.1000244566e+01 1.2800000000e+04 1.6434167906e-01 8.8537890625e-01
499 -5.7969651753e+01 3.5010895892e+03 -1.3674654652e+02 7.8776894763e+01 7.5539070161e+01 -2.5328586124e+02 4.1000244566e+01 1.2800000000e+04 1.6442424044e-01 8.8692578125e-01

501
labs/lab1_qmc_statistics/size/32_C2H4C2H4.s000.scalar.dat Normal file
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@ -0,0 +1,501 @@
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec Coulomb IonIon BlockWeight BlockCPU AcceptRatio
0 -9.4773943774e+01 9.1554962752e+03 -2.1046817786e+02 1.1569423409e+02 1.5490760635e+02 -4.6754106904e+02 1.0216528483e+02 1.2800000000e+04 3.5104331479e-01 8.9552001953e-01
1 -9.1690143907e+01 8.8954608539e+03 -2.1064646324e+02 1.1895631933e+02 1.5841469129e+02 -4.7122643936e+02 1.0216528483e+02 1.2800000000e+04 3.5261587585e-01 8.9433837891e-01
2 -9.2269909749e+01 1.0792013739e+04 -2.0951361383e+02 1.1724370408e+02 1.5851387230e+02 -4.7019277096e+02 1.0216528483e+02 1.2800000000e+04 3.5290518936e-01 8.9517822266e-01
3 -9.1293882899e+01 8.5190792221e+03 -2.0906175260e+02 1.1776786970e+02 1.5986461001e+02 -4.7109164743e+02 1.0216528483e+02 1.2800000000e+04 3.5259350917e-01 8.9526123047e-01
4 -9.1812746509e+01 8.9678119130e+03 -2.1234050665e+02 1.2052776014e+02 1.5955537635e+02 -4.7406116782e+02 1.0216528483e+02 1.2800000000e+04 3.5238729833e-01 8.9476074219e-01
5 -9.1429131671e+01 8.4878585932e+03 -2.0838522199e+02 1.1695609032e+02 1.5903450735e+02 -4.6958501416e+02 1.0216528483e+02 1.2800000000e+04 3.5234921459e-01 8.9437500000e-01
6 -9.1770478654e+01 8.8277728911e+03 -2.0964309998e+02 1.1787262133e+02 1.5904523701e+02 -4.7085362182e+02 1.0216528483e+02 1.2800000000e+04 3.5259889478e-01 8.9419921875e-01
7 -9.1607441183e+01 8.9198838255e+03 -2.1073419677e+02 1.1912675558e+02 1.5910338091e+02 -4.7200286251e+02 1.0216528483e+02 1.2800000000e+04 3.5253355751e-01 8.9435791016e-01
8 -9.1151153758e+01 8.6935771315e+03 -2.1263557370e+02 1.2148441994e+02 1.5952476109e+02 -4.7432561962e+02 1.0216528483e+02 1.2800000000e+04 3.5254619968e-01 8.9335449219e-01
9 -9.1330481787e+01 8.4580577643e+03 -2.0971943957e+02 1.1838895778e+02 1.5923795512e+02 -4.7112267952e+02 1.0216528483e+02 1.2800000000e+04 3.5307333888e-01 8.9471435547e-01
10 -9.1077701282e+01 8.4487513380e+03 -2.0850868742e+02 1.1743098614e+02 1.5890539950e+02 -4.6957937175e+02 1.0216528483e+02 1.2800000000e+04 3.5283426998e-01 8.9400390625e-01
11 -9.0692885629e+01 8.3322590353e+03 -2.0590251494e+02 1.1520962931e+02 1.5890031424e+02 -4.6696811401e+02 1.0216528483e+02 1.2800000000e+04 3.5251004604e-01 8.9438232422e-01
12 -9.0818902708e+01 8.4768405875e+03 -2.0985756130e+02 1.1903865859e+02 1.5914974905e+02 -4.7117259518e+02 1.0216528483e+02 1.2800000000e+04 3.5280500901e-01 8.9411376953e-01
13 -9.1093283725e+01 8.5195929551e+03 -2.1085498573e+02 1.1976170200e+02 1.5950898032e+02 -4.7252925087e+02 1.0216528483e+02 1.2800000000e+04 3.5249592294e-01 8.9408447266e-01
14 -9.1029291755e+01 8.5398604477e+03 -2.0528070753e+02 1.1425141577e+02 1.5955012715e+02 -4.6699611951e+02 1.0216528483e+02 1.2800000000e+04 3.5234441062e-01 8.9505615234e-01
15 -9.1669219721e+01 9.3681394199e+03 -2.1334461063e+02 1.2167539091e+02 1.5890865703e+02 -4.7441855249e+02 1.0216528483e+02 1.2800000000e+04 3.5296013454e-01 8.9457519531e-01
16 -9.1004992777e+01 8.4186473816e+03 -2.0837188419e+02 1.1736689141e+02 1.5957938889e+02 -4.7011655791e+02 1.0216528483e+02 1.2800000000e+04 3.5274118078e-01 8.9445312500e-01
17 -9.1353996727e+01 8.7410619833e+03 -2.1276254044e+02 1.2140854372e+02 1.6025495876e+02 -4.7518278404e+02 1.0216528483e+02 1.2800000000e+04 3.5257381674e-01 8.9350830078e-01
18 -9.2247286463e+01 8.8195328714e+03 -2.1112379927e+02 1.1887651280e+02 1.6023791024e+02 -4.7352699433e+02 1.0216528483e+02 1.2800000000e+04 3.5252418393e-01 8.9418457031e-01
19 -9.1608675541e+01 8.6527302146e+03 -2.1336187928e+02 1.2175320374e+02 1.5906166793e+02 -4.7458883203e+02 1.0216528483e+02 1.2800000000e+04 3.5279208898e-01 8.9392822266e-01
20 -9.1407070800e+01 8.6640416571e+03 -2.1075129862e+02 1.1934422782e+02 1.5892111525e+02 -4.7183769870e+02 1.0216528483e+02 1.2800000000e+04 3.5228926043e-01 8.9365478516e-01
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493 -9.2535607262e+01 9.3183949409e+03 -2.1199796914e+02 1.1946236188e+02 1.5876689820e+02 -4.7293015216e+02 1.0216528483e+02 1.2800000000e+04 3.5242345253e-01 8.9488037109e-01
494 -9.1304193617e+01 8.6686996269e+03 -2.1114039949e+02 1.1983620587e+02 1.5929132623e+02 -4.7259701054e+02 1.0216528483e+02 1.2800000000e+04 3.5253682900e-01 8.9497070312e-01
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498 -9.1040951889e+01 8.4297204952e+03 -2.0652329817e+02 1.1548234628e+02 1.5955607210e+02 -4.6824465509e+02 1.0216528483e+02 1.2800000000e+04 3.5237472163e-01 8.9500488281e-01
499 -9.1182699216e+01 8.7380485274e+03 -2.1375700532e+02 1.2257430611e+02 1.5977962439e+02 -4.7570191454e+02 1.0216528483e+02 1.2800000000e+04 3.5206603106e-01 8.9380126953e-01

17
labs/lab1_qmc_statistics/size/Nelectron_tCPU.plt Normal file
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@ -0,0 +1,17 @@
#set terminal png size 400,300
#set output 'timestep_vs_autocorrelation_energy_H_STO-2G.png'
#set xrange [0.00005:20]
#set logscale x
f(x) = a * x**2 + b * x + c
fit f(x) "nelectron_tcpu.dat" using 1:2 via a,b,c
unset key
set xlabel "Number of electrons"
#set yrange [-0.495:-0.435]
#set ytics -0.49,0.01,-0.44
set ylabel "t_CPU (s/block)"
plot f(x), "nelectron_tcpu.dat" using 1:2
pause -1

48
labs/lab1_qmc_statistics/size/fit.log Normal file
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@ -0,0 +1,48 @@
*******************************************************************************
Fri Jul 11 14:04:02 2014
FIT: data read from "nelectron_tcpu.dat" using 1:2
#datapoints = 8
residuals are weighted equally (unit weight)
function used for fitting: f(x)
fitted parameters initialized with current variable values
Iteration 0
WSSR : 1.34735e+06 delta(WSSR)/WSSR : 0
delta(WSSR) : 0 limit for stopping : 1e-05
lambda : 228.495
initial set of free parameter values
a = 1
b = 1
c = 1
After 6 iterations the fit converged.
final sum of squares of residuals : 0.000714244
rel. change during last iteration : -1.06423e-07
degrees of freedom (FIT_NDF) : 5
rms of residuals (FIT_STDFIT) = sqrt(WSSR/ndf) : 0.0119519
variance of residuals (reduced chisquare) = WSSR/ndf : 0.000142849
Final set of parameters Asymptotic Standard Error
======================= ==========================
a = 0.00022426 +/- 4.242e-05 (18.91%)
b = 0.00395746 +/- 0.001425 (36.02%)
c = -0.000955289 +/- 0.009391 (983.1%)
correlation matrix of the fit parameters:
a b c
a 1.000
b -0.949 1.000
c 0.681 -0.828 1.000

8
labs/lab1_qmc_statistics/size/nelectron_tcpu.dat Normal file
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@ -0,0 +1,8 @@
1 0.005676
2 0.010679
6 0.028279
10 0.060429
12 0.066720
16 0.111084
18 0.164463
32 0.352528

47
labs/lab1_qmc_statistics/tree.sh Executable file
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@ -0,0 +1,47 @@
#!/bin/sh
#######################################################
# UNIX TREE
# Version: 2.3
# File: ~/apps/tree/tree.sh
#
# Displays Structure of Directory Hierarchy
# -------------------------------------------------
# This tiny script uses "ls", "grep", and "sed"
# in a single command to show the nesting of
# sub-directories. The setup command for PATH
# works with the Bash shell (the Mac OS X default).
#
# Setup:
# $ cd ~/apps/tree
# $ chmod u+x tree.sh
# $ ln -s ~/apps/tree/tree.sh ~/bin/tree
# $ echo "PATH=~/bin:\${PATH}" >> ~/.profile
#
# Usage:
# $ tree [directory]
#
# Examples:
# $ tree
# $ tree /etc/opt
# $ tree ..
#
# Public Domain Software -- Free to Use as You Like
# http://www.centerkey.com/tree - By Dem Pilafian
#######################################################
echo
if [ "$1" != "" ] #if parameter exists, use as base folder
then cd "$1"
fi
pwd
ls -R | grep ":$" | \
sed -e 's/:$//' -e 's/[^-][^\/]*\//--/g' -e 's/^/ /' -e 's/-/|/'
# 1st sed: remove colons
# 2nd sed: replace higher level folder names with dashes
# 3rd sed: indent graph three spaces
# 4th sed: replace first dash with a vertical bar
if [ `ls -F -1 | grep "/" | wc -l` = 0 ] # check if no folders
then echo " -> no sub-directories"
fi
echo
exit

52
labs/lab2_qmc_basics/oxygen_atom/O.q0.dft.in Normal file
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@ -0,0 +1,52 @@
&CONTROL
calculation = 'scf'
disk_io = 'low'
prefix = 'O.q0'
outdir = './'
pseudo_dir = './'
restart_mode = 'from_scratch'
tprnfor = .false.
tstress = .false.
verbosity = 'high'
wf_collect = .true.
/
&SYSTEM
celldm(1) = 1.0
degauss = 0.0001
ecutrho = 800
ecutwfc = 200
ibrav = 0
input_dft = 'lda'
nat = 1
nosym = .true.
nspin = 2
ntyp = 1
occupations = 'smearing'
smearing = 'fermi-dirac'
tot_charge = 0
tot_magnetization = 2
/
&ELECTRONS
conv_thr = 1e-06
electron_maxstep = 1000
mixing_beta = 0.2
/
ATOMIC_SPECIES
O 15.999 O.BFD.upf
ATOMIC_POSITIONS alat
O 14.17294600 14.17294741 14.17294883
K_POINTS automatic
1 1 1 0 0 0
CELL_PARAMETERS cubic
28.34589199 0.00000000 0.00000000
0.00000000 28.34589483 0.00000000
-0.00000000 0.00000000 28.34589766

40
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<?xml version="1.0"?>
<simulation>
<project id="O.q0.dmc" series="0">
<application name="qmcapp" role="molecu" class="serial" version="1.0"/>
</project>
<include href="O.q0.ptcl.xml"/>
<!-- OPT_XML is from optimization, e.g. O.q0.opt.s008.opt.xml -->
<include href="OPT_XML"/>
<hamiltonian name="h0" type="generic" target="e">
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
<pairpot type="coulomb" name="IonIon" source="ion0" target="ion0"/>
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
<pseudo elementType="O" href="O.BFD.xml"/>
</pairpot>
</hamiltonian>
<!-- fill in VWARMUP, VBLOCKS, VSTEPS, VTIMESTEP, DWALKERS -->
<qmc method="vmc" move="pbyp">
<parameter name="walkers" > 1 </parameter>
<parameter name="warmupSteps" > VWARMUP </parameter>
<parameter name="blocks" > VBLOCKS </parameter>
<parameter name="steps" > VSTEPS </parameter>
<parameter name="timestep" > VTIMESTEP </parameter>
<parameter name="samples" > DWALKERS </parameter>
</qmc>
<!-- fill in DWARMUP, DBLOCKS, DSTEPS, DTIMESTEP -->
<!-- make multiple copies w/ different timesteps (largest first) -->
<!-- (blocks*steps*timestep = const1, warmup*timestep = const2) -->
<qmc method="dmc" move="pbyp">
<parameter name="warmupSteps" > DWARMUP </parameter>
<parameter name="blocks" > DBLOCKS </parameter>
<parameter name="steps" > DSTEPS </parameter>
<parameter name="timestep" > DTIMESTEP </parameter>
<parameter name="nonlocalmoves" > yes </parameter>
</qmc>
</simulation>

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<?xml version="1.0"?>
<simulation>
<!-- all output files will be prefixed by "O.q0.opt" -->
<project id="O.q0.opt" series="0">
<application name="qmcapp" role="molecu" class="serial" version="1.0"/>
</project>
<!-- include simulationcell and particle information from pw2qmcpqack -->
<include href="PTCL_XML"/>
<!-- include wavefunction information from pw2qmcpqack -->
<include href="WFS_XML"/>
<!-- many body Hamiltonian (kinetic energy is implicit) -->
<hamiltonian name="h0" type="generic" target="e">
<!-- electron-electron Coulomb interaction-->
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
<!-- ion-ion Coulomb interaction (irrelevant for a single atom, of course) -->
<pairpot type="coulomb" name="IonIon" source="ion0" target="ion0"/>
<!-- electron-ion interactions (pseudopotentials) -->
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
<!-- O pseudopotential read from "O.BFD.xml" -->
<pseudo elementType="O" href="PP_XML"/>
</pairpot>
</hamiltonian>
<!-- QMC run parameters below -->
<!-- linear optimization method -->
<!-- fill in MAX, ECOST, UVCOST, RVCOST, TS, SAMPLES -->
<!-- samples MUST be a multiple of # threads (512 on Vesta) -->
<loop max="MAX"> <!-- regenerate Monte Carlo samples and optimize MAX times -->
<qmc method="linear" move="pbyp" checkpoint="-1">
<cost name="energy" > ECOST </cost>
<cost name="unreweightedvariance"> UVCOST </cost>
<cost name="reweightedvariance" > RVCOST </cost>
<parameter name="timestep" > TS </parameter>
<parameter name="samples" > SAMPLES </parameter>
<parameter name="warmupSteps" > 50 </parameter>
<parameter name="blocks" > 200 </parameter>
<parameter name="subSteps" > 1 </parameter>
<parameter name="nonlocalpp" > yes </parameter>
<parameter name="useBuffer" > yes </parameter>
<parameter name="walkers" > 1 </parameter>
<parameter name="minwalkers" > 0.5 </parameter>
<parameter name="maxWeight" > 1000000000.0 </parameter>
<parameter name="useDrift" > no </parameter>
<parameter name="MinMethod" > quartic </parameter>
<parameter name="beta" > 0.025 </parameter>
<parameter name="exp0" > -16 </parameter>
<parameter name="bigchange" > 15.0 </parameter>
<parameter name="alloweddifference"> 0.0001 </parameter>
<parameter name="stepsize" > 0.2 </parameter>
<parameter name="stabilizerscale" > 1.0 </parameter>
<parameter name="nstabilizers" > 3 </parameter>
</qmc>
</loop>
</simulation>

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&inputpp
prefix = 'O.q0'
outdir = './'
write_psir = .false.
/

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#! /usr/bin/env python
import os
import sys
from subprocess import Popen,PIPE
from numpy import array,sqrt,polyfit,polyval,linspace
from generic import obj
from plotting import *
params = {'legend.fontsize':14,'figure.facecolor':'white','figure.subplot.hspace':0.6,
'axes.labelsize':16,'xtick.labelsize':14,'ytick.labelsize':14}
rcParams.update(params)
#files = sys.argv[1:]
files = 'O.q0.dmc.in.xml O.q1.dmc.in.xml'.split()
res = obj()
for file in files:
if not os.path.exists(file):
print 'file '+file+' does not exist'
exit()
#end if
prefix = None
timesteps = []
indmc = False
lines = open(file,'r').read().splitlines()
for line in lines:
ls = line.strip()
if ls.startswith('<project'):
ls = ls.strip('</>').replace('"','')
tokens = ls.split()
for t in tokens:
if 'id=' in t:
prefix = t.split('=')[1]
#end if
#end for
elif 'method="dmc"' in ls:
indmc = True
elif '</qmc>' in ls:
indmc = False
elif '"timestep"' in ls and indmc:
ptokens = ls.replace('>','>|').replace('<','|<').split('|')
timesteps.append(float(ptokens[2]))
#end if
#end for
command = 'qmca -q e -u eV {0}*scalar*'.format(prefix)
p = Popen(command,stdout=PIPE,shell=True)
out,err = p.communicate()
energies = []
errs = []
for line in out.splitlines():
tokens = line.split()
if len(tokens)==8:
energies.append(float(tokens[5]))
errs.append(float(tokens[7]))
#end if
#end for
ss = len(energies)-len(timesteps)
energies = energies[ss:]
errs = errs[ss:]
r = obj(
timesteps = array(timesteps),
energies = array(energies),
errs = array(errs)
)
if 'q0' in file:
res.q0 = r
elif 'q1' in file:
res.q1 = r
#end if
#end for
if len(res)==2:
q0 = res.q0
q1 = res.q1
ts = q0.timesteps
ip = q1.energies-q0.energies
iperr = sqrt(q1.errs**2+q0.errs**2)
tfit = linspace(0,ts.max(),200)
q0fit = polyval(polyfit(ts,q0.energies,1),tfit)
q1fit = polyval(polyfit(ts,q1.energies,1),tfit)
ipfit = polyval(polyfit(ts,ip,1),tfit)
print
print
print 'Total energy (q=0, eV)'
for i in range(len(ts)):
print ' {0:<6.4f} {1:<6.4f} +/- {2:<6.4f}'.format(ts[i],q0.energies[i],q0.errs[i])
#end for
print '----------------------------------'
print ' {0:<6.4f} {1:<6.4f}'.format(0.00,q0fit[0])
print
print
print 'Total energy (q=1, eV)'
for i in range(len(ts)):
print ' {0:<6.4f} {1:<6.4f} +/- {2:<6.4f}'.format(ts[i],q1.energies[i],q1.errs[i])
#end for
print '----------------------------------'
print ' {0:<6.4f} {1:<6.4f}'.format(0.00,q1fit[0])
print
print
print '1st ionization potential (eV)'
for i in range(len(ts)):
print ' {0:<6.4f} {1:<6.4f} +/- {2:<6.4f}'.format(ts[i],ip[i],iperr[i])
#end for
print '----------------------------------'
print ' {0:<6.4f} {1:<6.4f}'.format(0.00,ipfit[0])
print
print
figure()
errorbar(q0.timesteps,q0.energies,q0.errs,fmt='b.',label='q0')
plot(tfit,q0fit,'k--',lw=2)
title('Oxygen q=0 total energy vs. timestep')
ylabel('Total energy (eV)')
xlabel('timestep (1/Ha)')
legend()
figure()
errorbar(q1.timesteps,q1.energies,q1.errs,fmt='b.',label='q1')
plot(tfit,q1fit,'k--',lw=2)
title('Oxygen q=1 total energy vs. timestep')
ylabel('Total energy (eV)')
xlabel('timestep (1/Ha)')
legend()
figure()
errorbar(ts,ip,iperr,fmt='r.',label='1st IP')
plot(tfit,ipfit,'g--',lw=2)
title('Oxygen 1st IP vs. timestep')
ylabel('IP (eV)')
xlabel('timestep (1/Ha)')
legend()
show()
#end if

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labs/lab2_qmc_basics/oxygen_atom/reference/O.BFD.upf Normal file
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labs/lab2_qmc_basics/oxygen_atom/reference/O.BFD.xml Normal file
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labs/lab2_qmc_basics/oxygen_atom/reference/O.q0.dft.in Normal file
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&CONTROL
calculation = 'scf'
disk_io = 'low'
outdir = 'q0_output'
prefix = 'O.q0'
pseudo_dir = './'
restart_mode = 'from_scratch'
tprnfor = .false.
tstress = .false.
verbosity = 'high'
wf_collect = .true.
/
&SYSTEM
celldm(1) = 1.0
degauss = 0.0001
ecutrho = 800
ecutwfc = 200
ibrav = 0
input_dft = 'lda'
nat = 1
nosym = .true.
nspin = 2
ntyp = 1
occupations = 'smearing'
smearing = 'fermi-dirac'
tot_charge = 0
tot_magnetization = 2
/
&ELECTRONS
conv_thr = 1e-06
electron_maxstep = 1000
mixing_beta = 0.2
/
ATOMIC_SPECIES
O 15.999 O.BFD.upf
ATOMIC_POSITIONS alat
O 14.17294600 14.17294741 14.17294883
K_POINTS automatic
1 1 1 0 0 0
CELL_PARAMETERS cubic
28.34589199 0.00000000 0.00000000
0.00000000 28.34589483 0.00000000
-0.00000000 0.00000000 28.34589766

421
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Program PWSCF v.4.2 starts on 17Jun2014 at 17:18:24
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please acknowledge
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
Parallel version (MPI), running on 16 processors
R & G space division: proc/pool = 16
EXPERIMENTAL VERSION WITH EXACT EXCHANGE
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Waiting for input...
XC functional enforced from input :
Exchange-correlation = LDA (1100)
EXX-fraction = 0.00
!!! Any further DFT definition will be discarded
!!! Please, verify this is what you really want !
file O.BFD.upf: wavefunction(s) 0s 0p renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
Too few electrons for parallel algorithm: we need # of bands >= SQRT(nproc)
a serial algorithm will be used
Planes per process (thick) : nr3 = 256 npp = 16 ncplane = 65536
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 16 3198 544004 16 3198 544004 798 68032
2 16 3198 544004 16 3198 544004 798 68032
3 16 3198 544004 16 3198 544004 798 68032
4 16 3198 544004 16 3198 544004 798 68032
5 16 3198 544004 16 3198 544004 798 68032
6 16 3198 544004 16 3198 544004 800 68034
7 16 3197 543999 16 3197 543999 800 68034
8 16 3197 543999 16 3197 543999 800 68034
9 16 3197 543999 16 3197 543999 800 68034
10 16 3198 544002 16 3198 544002 800 68034
11 16 3198 544002 16 3198 544002 800 68034
12 16 3198 544002 16 3198 544002 799 68031
13 16 3198 544002 16 3198 544002 799 68033
14 16 3198 544002 16 3198 544002 799 68033
15 16 3198 544002 16 3198 544002 799 68033
16 16 3198 544002 16 3198 544002 799 68033
tot 256 51165 8704035 256 51165 8704035 12785 1088527
bravais-lattice index = 0
lattice parameter (a_0) = 1.0000 a.u.
unit-cell volume = 22775.6360 (a.u.)^3
number of atoms/cell = 1
number of atomic types = 1
number of electrons = 6.00 (up: 4.00, down: 2.00)
number of Kohn-Sham states= 8
kinetic-energy cutoff = 200.0000 Ry
charge density cutoff = 800.0000 Ry
convergence threshold = 1.0E-06
mixing beta = 0.2000
number of iterations used = 8 plain mixing
Exchange-correlation = LDA (1100)
EXX-fraction = 0.00
celldm(1)= 1.000000 celldm(2)= 0.000000 celldm(3)= 0.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( 28.345892 0.000000 0.000000 )
a(2) = ( 0.000000 28.345895 0.000000 )
a(3) = ( 0.000000 0.000000 28.345898 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( 0.035278 0.000000 0.000000 )
b(2) = ( 0.000000 0.035278 0.000000 )
b(3) = ( 0.000000 0.000000 0.035278 )
PseudoPot. # 1 for O read from file O.BFD.upf
Pseudo is Norm-conserving, Zval = 6.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 2000 points, 1 beta functions with:
l(1) = 0
atomic species valence mass pseudopotential
O 6.00 15.99900 O ( 1.00)
Starting magnetic structure
atomic species magnetization
O 0.000
No symmetry found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
point group C_1 (1)
there are 1 classes
the character table:
E
A 1.00
the symmetry operations in each class:
E 1
Cartesian axes
site n. atom positions (a_0 units)
1 O tau( 1) = ( 14.1729460 14.1729474 14.1729488 )
Crystallographic axes
site n. atom positions (cryst. coord.)
1 O tau( 1) = ( 0.5000000 0.5000000 0.5000000 )
number of k points= 2 gaussian broad. (Ry)= 0.0001 ngauss = -99
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
k( 2) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
k( 2) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
G cutoff = 20.2642 (8704035 G-vectors) FFT grid: (256,256,256)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 8.30 Mb ( 68032, 8)
NL pseudopotentials 1.04 Mb ( 68032, 1)
Each V/rho on FFT grid 32.00 Mb (1048576, 2)
Each G-vector array 4.15 Mb ( 544004)
G-vector shells 1.85 Mb ( 242791)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 33.22 Mb ( 68032, 32)
Each subspace H/S matrix 0.02 Mb ( 32, 32)
Each <psi_i|beta_j> matrix 0.00 Mb ( 1, 8)
Arrays for rho mixing 128.00 Mb (1048576, 8)
Initial potential from superposition of free atoms
starting charge 0.47747, renormalised to 6.00000
negative rho (up, down): 0.710E-03 0.710E-03
Starting wfc are 4 atomic + 4 random wfc
total cpu time spent up to now is 19.82 secs
per-process dynamical memory: 271.7 Mb
Self-consistent Calculation
iteration # 1 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.00E-02, avg # of iterations = 8.0
negative rho (up, down): 0.560E-03 0.565E-03
total cpu time spent up to now is 37.75 secs
total energy = -31.49219466 Ry
Harris-Foulkes estimate = -31.45493037 Ry
estimated scf accuracy < 0.07766419 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 2 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.29E-03, avg # of iterations = 1.0
negative rho (up, down): 0.393E-04 0.402E-04
total cpu time spent up to now is 47.73 secs
total energy = -31.56134550 Ry
Harris-Foulkes estimate = -31.49245996 Ry
estimated scf accuracy < 0.05207890 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 3 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 8.68E-04, avg # of iterations = 1.5
negative rho (up, down): 0.366E-04 0.363E-04
total cpu time spent up to now is 58.35 secs
total energy = -31.56682236 Ry
Harris-Foulkes estimate = -31.56664639 Ry
estimated scf accuracy < 0.00042178 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 4 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 7.03E-06, avg # of iterations = 10.5
negative rho (up, down): 0.374E-04 0.371E-04
total cpu time spent up to now is 79.88 secs
total energy = -31.56691829 Ry
Harris-Foulkes estimate = -31.56694738 Ry
estimated scf accuracy < 0.00397238 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 5 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 7.03E-06, avg # of iterations = 1.0
negative rho (up, down): 0.279E-04 0.272E-04
total cpu time spent up to now is 90.15 secs
total energy = -31.56707361 Ry
Harris-Foulkes estimate = -31.56692605 Ry
estimated scf accuracy < 0.00019904 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 6 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 3.32E-06, avg # of iterations = 1.0
negative rho (up, down): 0.743E-07 0.810E-07
total cpu time spent up to now is 100.55 secs
total energy = -31.56728749 Ry
Harris-Foulkes estimate = -31.56708438 Ry
estimated scf accuracy < 0.00338562 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 7 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 3.32E-06, avg # of iterations = 1.5
negative rho (up, down): 0.237E-05 0.227E-05
total cpu time spent up to now is 111.93 secs
total energy = -31.56729580 Ry
Harris-Foulkes estimate = -31.56733705 Ry
estimated scf accuracy < 0.00011070 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 8 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.85E-06, avg # of iterations = 1.5
total cpu time spent up to now is 123.08 secs
total energy = -31.56729591 Ry
Harris-Foulkes estimate = -31.56730197 Ry
estimated scf accuracy < 0.00002871 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 9 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 4.79E-07, avg # of iterations = 3.0
negative rho (up, down): 0.597E-07 0.648E-07
total cpu time spent up to now is 135.93 secs
total energy = -31.56730111 Ry
Harris-Foulkes estimate = -31.56730139 Ry
estimated scf accuracy < 0.00006889 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 10 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 4.79E-07, avg # of iterations = 1.0
negative rho (up, down): 0.185E-07 0.160E-07
total cpu time spent up to now is 146.75 secs
total energy = -31.56730114 Ry
Harris-Foulkes estimate = -31.56730136 Ry
estimated scf accuracy < 0.00002502 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
iteration # 11 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 4.17E-07, avg # of iterations = 1.0
total cpu time spent up to now is 154.18 secs
End of self-consistent calculation
------ SPIN UP ------------
k = 0.0000 0.0000 0.0000 (****** PWs) bands (ev):
-24.7868 -10.3245 -10.3244 -10.3242 -0.2052 0.3176 0.5947 0.5947
occupation numbers
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
------ SPIN DOWN ----------
k = 0.0000 0.0000 0.0000 (****** PWs) bands (ev):
-21.5388 -7.2599 -7.2599 -7.2599 -0.1497 0.3747 0.6101 0.6101
occupation numbers
1.0000 0.3351 0.3331 0.3317 0.0000 0.0000 0.0000 0.0000
the spin up/dw Fermi energies are -5.7378 -7.2609 ev
! total energy = -31.56730146 Ry
Harris-Foulkes estimate = -31.56730125 Ry
estimated scf accuracy < 0.00000047 Ry
The total energy is the sum of the following terms:
one-electron contribution = -45.28014825 Ry
hartree contribution = 23.75925464 Ry
xc contribution = -6.44277767 Ry
ewald contribution = -3.60343922 Ry
- averaged Fock potential = 0.00000000 Ry
+ Fock energy = 0.00000000 Ry
smearing contrib. (-TS) = -0.00019095 Ry
total magnetization = 2.00 Bohr mag/cell
absolute magnetization = 2.00 Bohr mag/cell
convergence has been achieved in 11 iterations
Writing output data file O.q0.save
Writing output data file O.q0.save
init_run : 19.53s CPU 19.79s WALL ( 1 calls)
electrons : 130.16s CPU 134.37s WALL ( 1 calls)
Called by init_run:
wfcinit : 2.47s CPU 2.50s WALL ( 1 calls)
potinit : 6.06s CPU 6.12s WALL ( 1 calls)
Called by electrons:
c_bands : 76.49s CPU 77.45s WALL ( 11 calls)
sum_band : 21.47s CPU 21.58s WALL ( 11 calls)
v_of_rho : 4.34s CPU 4.42s WALL ( 12 calls)
v_h : 1.96s CPU 1.99s WALL ( 12 calls)
v_xc : 2.38s CPU 2.43s WALL ( 12 calls)
mix_rho : 10.82s CPU 11.05s WALL ( 11 calls)
Called by c_bands:
init_us_2 : 0.23s CPU 0.23s WALL ( 46 calls)
cegterg : 76.11s CPU 77.06s WALL ( 22 calls)
Called by sum_band:
Called by *egterg:
h_psi : 74.82s CPU 75.37s WALL ( 86 calls)
g_psi : 0.44s CPU 0.44s WALL ( 62 calls)
cdiaghg : 0.02s CPU 0.02s WALL ( 84 calls)
cegterg:over : 0.96s CPU 0.94s WALL ( 62 calls)
cegterg:upda : 1.07s CPU 1.10s WALL ( 62 calls)
cegterg:last : 0.46s CPU 0.47s WALL ( 26 calls)
Called by h_psi:
h_psi:vloc : 74.04s CPU 74.57s WALL ( 86 calls)
h_psi:vnl : 0.39s CPU 0.39s WALL ( 86 calls)
add_vuspsi : 0.19s CPU 0.23s WALL ( 86 calls)
General routines
calbec : 0.19s CPU 0.16s WALL ( 86 calls)
cft3s : 90.29s CPU 91.05s WALL ( 1281 calls)
Parallel routines
fft_scatter : 21.67s CPU 22.15s WALL ( 1281 calls)
EXX routines
PWSCF : 2m38.93s CPU time, 2m44.66s WALL time
This run was terminated on: 17:21: 8 17Jun2014
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=

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<?xml version="1.0"?>
<simulation>
<project id="O_q0_dmc" series="0">
<application name="qmcapp" role="molecu" class="serial" version="1.0"/>
</project>
<qmcsystem>
<simulationcell>
<parameter name="lattice" units="bohr">
28.34589199 0.00000000 0.00000000
0.00000000 28.34589483 0.00000000
0.00000000 0.00000000 28.34589766
</parameter>
<parameter name="bconds">
n n n
</parameter>
</simulationcell>
<particleset name="e" random="yes" randomsrc="ion0">
<group name="u" size="4">
<parameter name="charge" > -1 </parameter>
<parameter name="mass" > 1.0 </parameter>
</group>
<group name="d" size="2">
<parameter name="charge" > -1 </parameter>
<parameter name="mass" > 1.0 </parameter>
</group>
</particleset>
<particleset name="ion0">
<group name="O" size="1">
<parameter name="charge" > 6 </parameter>
<parameter name="valence" > 6 </parameter>
<parameter name="atomicnumber" > 8 </parameter>
<parameter name="mass" > 29164.3928678 </parameter>
<attrib name="position" datatype="posArray" condition="0">
14.17294600 14.17294741 14.17294883
</attrib>
</group>
</particleset>
</qmcsystem>
<include href="OPT_XML"/>
<qmcsystem>
<hamiltonian name="h0" type="generic" target="e">
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
<pairpot type="coulomb" name="IonIon" source="ion0" target="ion0"/>
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
<pseudo elementType="O" href="O.BFD.xml"/>
</pairpot>
</hamiltonian>
</qmcsystem>
<!-- fill in VWARMUP, VBLOCKS, VSTEPS, VTIMESTEP, DWALKERS -->
<qmc method="vmc" move="pbyp">
<parameter name="walkers" > 1 </parameter>
<parameter name="warmupSteps" > VWARMUP </parameter>
<parameter name="blocks" > VBLOCKS </parameter>
<parameter name="steps" > VSTEPS </parameter>
<parameter name="timestep" > VTIMESTEP </parameter>
<parameter name="samples" > DWALKERS </parameter>
</qmc>
<!-- fill in DWARMUP, DBLOCKS, DSTEPS, DTIMESTEP -->
<!-- make multiple copies w/ different timesteps (largest first) -->
<!-- (blocks*steps*timestep = const1, warmup*timestep = const2) -->
<qmc method="dmc" move="pbyp">
<parameter name="warmupSteps" > DWARMUP </parameter>
<parameter name="blocks" > DBLOCKS </parameter>
<parameter name="steps" > DSTEPS </parameter>
<parameter name="timestep" > DTIMESTEP </parameter>
<parameter name="nonlocalmoves" > yes </parameter>
</qmc>
</simulation>

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Rank = 0 Free Memory = 92815 MB
Rank = 1 Free Memory = 92815 MB
Rank = 2 Free Memory = 92815 MB
Rank = 3 Free Memory = 92815 MB
Rank = 4 Free Memory = 92815 MB
Rank = 5 Free Memory = 92815 MB
Rank = 6 Free Memory = 92815 MB
Rank = 7 Free Memory = 92815 MB
Rank = 8 Free Memory = 92815 MB
Rank = 9 Free Memory = 92815 MB
Rank = 10 Free Memory = 92815 MB
Rank = 11 Free Memory = 92815 MB
Rank = 12 Free Memory = 92815 MB
Rank = 13 Free Memory = 92815 MB
Rank = 14 Free Memory = 92815 MB
Rank = 15 Free Memory = 92815 MB
[ 1 0 0
0 1 0
0 0 1 ]

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<?xml version="1.0"?>
<simulation>
<!-- all output files will be prefixed by "O_q0_opt" -->
<project id="O_q0_opt" series="0">
<application name="qmcapp" role="molecu" class="serial" version="1.0"/>
</project>
<!-- qmcsystem: simulation cell, particles, trial wavefunction, and hamiltonian -->
<qmcsystem>
<!-- description of simulation cell and boundary conditions -->
<simulationcell>
<!-- simulation cell axes in Bohr -->
<parameter name="lattice" units="bohr">
28.34589199 0.00000000 0.00000000
0.00000000 28.34589483 0.00000000
0.00000000 0.00000000 28.34589766
</parameter>
<!-- n n n means open boundary conditions in each dimension -->
<parameter name="bconds">
n n n
</parameter>
</simulationcell>
<!-- description of electrons and ions -->
<!-- electrons (labeled "e") -->
<particleset name="e" random="yes" randomsrc="ion0">
<!-- 4 up electrons -->
<group name="u" size="4">
<parameter name="charge" > -1 </parameter>
<parameter name="mass" > 1.0 </parameter>
</group>
<!-- 2 down electrons -->
<group name="d" size="2">
<parameter name="charge" > -1 </parameter>
<parameter name="mass" > 1.0 </parameter>
</group>
</particleset>
<!-- ions/atoms (labeled "ion0") -->
<particleset name="ion0">
<!-- 1 oxygen atom -->
<group name="O" size="1">
<parameter name="charge" > 6 </parameter>
<parameter name="valence" > 6 </parameter>
<parameter name="atomicnumber" > 8 </parameter>
<parameter name="mass" > 29164.3928678 </parameter>
<!-- position of oxygen atom in Bohr -->
<attrib name="position" datatype="posArray" condition="0">
14.17294600 14.17294741 14.17294883
</attrib>
</group>
</particleset>
<!-- trial wavefunction (labeled "psi0") -->
<wavefunction name="psi0" target="e">
<!-- single particle orbitals from QM Espresso, read from file "O.q0.pwscf.h5" -->
<sposet_builder type="bspline" href="./O.q0.pwscf.h5" tilematrix="1 0 0 0 1 0 0 0 1" twistnum="0" source="ion0" version="0.10" meshfactor="1.0" precision="float" truncate="no">
<sposet type="bspline" name="spo_u" size="4" spindataset="0"/> <!-- up orbitals -->
<sposet type="bspline" name="spo_d" size="2" spindataset="1"/> <!-- down orbitals -->
</sposet_builder>
<!-- spin up and down Slater determinants constructed from orbitals above -->
<determinantset>
<slaterdeterminant>
<determinant id="updet" group="u" sposet="spo_u" size="4"/> <!-- up determinant -->
<determinant id="downdet" group="d" sposet="spo_d" size="2"/> <!-- down determinant -->
</slaterdeterminant>
</determinantset>
<!-- 1-body B-spline Jastrow factor (electron-ion) -->
<jastrow type="One-Body" name="J1" function="bspline" source="ion0" print="yes">
<correlation elementType="O" size="8" rcut="4.5" cusp="0.0"> <!-- 8 knots, vanishes beyond 4.5 Bohr -->
<coefficients id="eO" type="Array">
0 0 0 0 0 0 0 0 <!-- initial guess for 8 knots is zero -->
</coefficients>
</correlation>
</jastrow>
<!-- 2-body Pade Jastrow factor (electron-ion) -->
<jastrow type="Two-Body" name="J2" function="pade" print="yes">
<correlation speciesA="u" speciesB="u">
<var id="uu_b" name="B"> 0.6 </var> <!-- up-up B parameter Ar/(1+Br) -->
</correlation>
<correlation speciesA="u" speciesB="d">
<var id="ud_b" name="B"> 1.0 </var> <!-- down-down B parameter Ar/(1+Br) -->
</correlation>
</jastrow>
</wavefunction>
<!-- many body Hamiltonian (kinetic energy is implicit) -->
<hamiltonian name="h0" type="generic" target="e">
<!-- electron-electron Coulomb interaction-->
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
<!-- ion-ion Coulomb interaction (irrelevant for a single atom, of course) -->
<pairpot type="coulomb" name="IonIon" source="ion0" target="ion0"/>
<!-- electron-ion interactions (pseudopotentials) -->
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
<pseudo elementType="O" href="O.BFD.xml"/> <!-- O pseudopotential read from "O.BFD.xml" -->
</pairpot>
</hamiltonian>
</qmcsystem>
<!-- QMC run parameters below -->
<!-- linear optimization method (use fewer samples) -->
<!-- fill in MAX1, ECOST1, UVCOST1, RVCOST1, TS, SAMPLES1 -->
<loop max="8"> <!-- regenerate Monte Carlo samples and optimize MAX1 times -->
<qmc method="linear" move="pbyp" checkpoint="-1">
<cost name="energy" > 0 </cost>
<cost name="unreweightedvariance"> 1.0 </cost>
<cost name="reweightedvariance" > 0 </cost>
<parameter name="timestep" > .3 </parameter>
<parameter name="samples" > 5000 </parameter>
<parameter name="warmupSteps" > 300 </parameter>
<parameter name="blocks" > 800 </parameter>
<parameter name="subSteps" > 10 </parameter>
<parameter name="nonlocalpp" > yes </parameter>
<parameter name="useBuffer" > yes </parameter>
<parameter name="walkers" > 1 </parameter>
<parameter name="minwalkers" > 0.5 </parameter>
<parameter name="maxWeight" > 1000000000.0 </parameter>
<parameter name="useDrift" > yes </parameter>
<parameter name="MinMethod" > quartic </parameter>
<parameter name="beta" > 0.025 </parameter>
<parameter name="exp0" > -16 </parameter>
<parameter name="bigchange" > 15.0 </parameter>
<parameter name="alloweddifference" > 0.0001 </parameter>
<parameter name="stepsize" > 0.2 </parameter>
<parameter name="stabilizerscale" > 1.0 </parameter>
<parameter name="nstabilizers" > 3 </parameter>
</qmc>
</loop>
<!-- linear optimization method (use more samples) -->
<!-- fill in MAX2, ECOST2, UVCOST2, RVCOST2, TS, SAMPLES2 -->
<loop max="8">
<qmc method="linear" move="pbyp" checkpoint="-1">
<cost name="energy" > 0 </cost>
<cost name="unreweightedvariance"> 1.0 </cost>
<cost name="reweightedvariance" > 0 </cost>
<parameter name="timestep" > 0.3 </parameter>
<parameter name="samples" > 20000 </parameter>
<parameter name="warmupSteps" > 300 </parameter>
<parameter name="blocks" > 800 </parameter>
<parameter name="subSteps" > 10 </parameter>
<parameter name="nonlocalpp" > yes </parameter>
<parameter name="useBuffer" > yes </parameter>
<parameter name="walkers" > 1 </parameter>
<parameter name="minwalkers" > 0.5 </parameter>
<parameter name="maxWeight" > 1000000000.0 </parameter>
<parameter name="useDrift" > yes </parameter>
<parameter name="MinMethod" > quartic </parameter>
<parameter name="beta" > 0.025 </parameter>
<parameter name="exp0" > -16 </parameter>
<parameter name="bigchange" > 15.0 </parameter>
<parameter name="alloweddifference" > 0.0001 </parameter>
<parameter name="stepsize" > 0.2 </parameter>
<parameter name="stabilizerscale" > 1.0 </parameter>
<parameter name="nstabilizers" > 3 </parameter>
</qmc>
</loop>
</simulation>

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&inputpp
write_psir = .false.
prefix = 'O.q0'
outdir = 'q0_output'
/

34
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Program pw2qmcpack v.4.2 starts on 17Jun2014 at 17:21:44
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please acknowledge
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
Parallel version (MPI), running on 1 processors
file O.BFD.upf: wavefunction(s) 0s 0p renormalized
Planes per process (thick) : nr3 = 256 npp = 256 ncplane = 65536
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 256 51165 8704035 256 51165 8704035 12785 1088527
XC functional enforced from input :
Exchange-correlation = LDA (1100)
EXX-fraction = 0.00
!!! Any further DFT definition will be discarded
!!! Please, verify this is what you really want !
EXX fraction changed: 0.00
EXX Screening parameter changed: 0.0000000
esh5 create q0_output/O.q0.pwscf.h5
Creating electrons
1 0.000000000000000 0.000000000000000 0.000000000000000
esh5_write_gvectors number_of_gvectors 1088527
PW2QMCPACK npw= 1088527 ngtot= 1088527
PW2QMCPACK ik= 1

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&CONTROL
calculation = 'scf'
disk_io = 'low'
outdir = 'q1_output'
prefix = 'O.q1'
pseudo_dir = './'
restart_mode = 'from_scratch'
tprnfor = .false.
tstress = .false.
verbosity = 'high'
wf_collect = .true.
/
&SYSTEM
celldm(1) = 1.0
degauss = 0.0001
ecutrho = 800
ecutwfc = 200
ibrav = 0
input_dft = 'lda'
nat = 1
nosym = .true.
nspin = 2
ntyp = 1
occupations = 'smearing'
smearing = 'fermi-dirac'
tot_charge = 1
tot_magnetization = 3
/
&ELECTRONS
conv_thr = 1e-06
electron_maxstep = 1000
mixing_beta = 0.2
/
ATOMIC_SPECIES
O 15.999 O.BFD.upf
ATOMIC_POSITIONS alat
O 14.17294600 14.17294741 14.17294883
K_POINTS automatic
1 1 1 0 0 0
CELL_PARAMETERS cubic
28.34589199 0.00000000 0.00000000
0.00000000 28.34589483 0.00000000
-0.00000000 0.00000000 28.34589766

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Program PWSCF v.4.2 starts on 17Jun2014 at 17:26:34
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please acknowledge
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
Parallel version (MPI), running on 16 processors
R & G space division: proc/pool = 16
EXPERIMENTAL VERSION WITH EXACT EXCHANGE
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Waiting for input...
XC functional enforced from input :
Exchange-correlation = LDA (1100)
EXX-fraction = 0.00
!!! Any further DFT definition will be discarded
!!! Please, verify this is what you really want !
file O.BFD.upf: wavefunction(s) 0s 0p renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
Too few electrons for parallel algorithm: we need # of bands >= SQRT(nproc)
a serial algorithm will be used
Planes per process (thick) : nr3 = 256 npp = 16 ncplane = 65536
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 16 3198 544004 16 3198 544004 798 68032
2 16 3198 544004 16 3198 544004 798 68032
3 16 3198 544004 16 3198 544004 798 68032
4 16 3198 544004 16 3198 544004 798 68032
5 16 3198 544004 16 3198 544004 798 68032
6 16 3198 544004 16 3198 544004 800 68034
7 16 3197 543999 16 3197 543999 800 68034
8 16 3197 543999 16 3197 543999 800 68034
9 16 3197 543999 16 3197 543999 800 68034
10 16 3198 544002 16 3198 544002 800 68034
11 16 3198 544002 16 3198 544002 800 68034
12 16 3198 544002 16 3198 544002 799 68031
13 16 3198 544002 16 3198 544002 799 68033
14 16 3198 544002 16 3198 544002 799 68033
15 16 3198 544002 16 3198 544002 799 68033
16 16 3198 544002 16 3198 544002 799 68033
tot 256 51165 8704035 256 51165 8704035 12785 1088527
bravais-lattice index = 0
lattice parameter (a_0) = 1.0000 a.u.
unit-cell volume = 22775.6360 (a.u.)^3
number of atoms/cell = 1
number of atomic types = 1
number of electrons = 5.00 (up: 4.00, down: 1.00)
number of Kohn-Sham states= 8
kinetic-energy cutoff = 200.0000 Ry
charge density cutoff = 800.0000 Ry
convergence threshold = 1.0E-06
mixing beta = 0.2000
number of iterations used = 8 plain mixing
Exchange-correlation = LDA (1100)
EXX-fraction = 0.00
celldm(1)= 1.000000 celldm(2)= 0.000000 celldm(3)= 0.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( 28.345892 0.000000 0.000000 )
a(2) = ( 0.000000 28.345895 0.000000 )
a(3) = ( 0.000000 0.000000 28.345898 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( 0.035278 0.000000 0.000000 )
b(2) = ( 0.000000 0.035278 0.000000 )
b(3) = ( 0.000000 0.000000 0.035278 )
PseudoPot. # 1 for O read from file O.BFD.upf
Pseudo is Norm-conserving, Zval = 6.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 2000 points, 1 beta functions with:
l(1) = 0
atomic species valence mass pseudopotential
O 6.00 15.99900 O ( 1.00)
Starting magnetic structure
atomic species magnetization
O 0.000
No symmetry found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
point group C_1 (1)
there are 1 classes
the character table:
E
A 1.00
the symmetry operations in each class:
E 1
Cartesian axes
site n. atom positions (a_0 units)
1 O tau( 1) = ( 14.1729460 14.1729474 14.1729488 )
Crystallographic axes
site n. atom positions (cryst. coord.)
1 O tau( 1) = ( 0.5000000 0.5000000 0.5000000 )
number of k points= 2 gaussian broad. (Ry)= 0.0001 ngauss = -99
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
k( 2) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
k( 2) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000
G cutoff = 20.2642 (8704035 G-vectors) FFT grid: (256,256,256)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 8.30 Mb ( 68032, 8)
NL pseudopotentials 1.04 Mb ( 68032, 1)
Each V/rho on FFT grid 32.00 Mb (1048576, 2)
Each G-vector array 4.15 Mb ( 544004)
G-vector shells 1.85 Mb ( 242791)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 33.22 Mb ( 68032, 32)
Each subspace H/S matrix 0.02 Mb ( 32, 32)
Each <psi_i|beta_j> matrix 0.00 Mb ( 1, 8)
Arrays for rho mixing 128.00 Mb (1048576, 8)
Initial potential from superposition of free atoms
starting charge 0.47747, renormalised to 5.00000
negative rho (up, down): 0.592E-03 0.592E-03
Starting wfc are 4 atomic + 4 random wfc
total cpu time spent up to now is 19.75 secs
per-process dynamical memory: 264.3 Mb
Self-consistent Calculation
iteration # 1 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.00E-02, avg # of iterations = 4.0
negative rho (up, down): 0.473E-03 0.474E-03
total cpu time spent up to now is 34.94 secs
total energy = -30.51311179 Ry
Harris-Foulkes estimate = -30.44916611 Ry
estimated scf accuracy < 0.48799300 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 2 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 9.76E-03, avg # of iterations = 1.0
negative rho (up, down): 0.856E-04 0.869E-04
total cpu time spent up to now is 45.04 secs
total energy = -30.63524110 Ry
Harris-Foulkes estimate = -30.51544692 Ry
estimated scf accuracy < 0.28285406 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 3 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 5.66E-03, avg # of iterations = 1.5
negative rho (up, down): 0.330E-04 0.354E-04
total cpu time spent up to now is 55.42 secs
total energy = -30.66845758 Ry
Harris-Foulkes estimate = -30.66087901 Ry
estimated scf accuracy < 0.00900013 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 4 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.80E-04, avg # of iterations = 2.5
negative rho (up, down): 0.433E-05 0.115E-04
total cpu time spent up to now is 69.40 secs
total energy = -30.66124247 Ry
Harris-Foulkes estimate = -30.68038424 Ry
estimated scf accuracy < 0.03642806 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 5 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 1.80E-04, avg # of iterations = 2.0
negative rho (up, down): 0.422E-05 0.109E-04
total cpu time spent up to now is 81.13 secs
total energy = -30.66675100 Ry
Harris-Foulkes estimate = -30.66674338 Ry
estimated scf accuracy < 0.00001176 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 6 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 2.35E-07, avg # of iterations = 4.0
negative rho (up, down): 0.348E-07 0.605E-08
total cpu time spent up to now is 95.27 secs
total energy = -30.66678981 Ry
Harris-Foulkes estimate = -30.66675225 Ry
estimated scf accuracy < 0.00001127 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 7 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 2.25E-07, avg # of iterations = 1.5
total cpu time spent up to now is 106.05 secs
total energy = -30.66678552 Ry
Harris-Foulkes estimate = -30.66679251 Ry
estimated scf accuracy < 0.00001325 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
iteration # 8 ecut= 200.00 Ry beta=0.20
Davidson diagonalization with overlap
ethr = 2.25E-07, avg # of iterations = 2.0
total cpu time spent up to now is 114.21 secs
End of self-consistent calculation
------ SPIN UP ------------
k = 0.0000 0.0000 0.0000 (****** PWs) bands (ev):
-38.3179 -23.5938 -23.5938 -23.5938 -3.4683 -1.1226 -1.1226 -1.1226
occupation numbers
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
------ SPIN DOWN ----------
k = 0.0000 0.0000 0.0000 (****** PWs) bands (ev):
-32.3171 -17.5798 -17.5798 -17.5798 -2.8045 -0.7192 -0.7192 -0.7192
occupation numbers
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
the spin up/dw Fermi energies are -19.5185 -19.5185 ev
! total energy = -30.66678740 Ry
Harris-Foulkes estimate = -30.66678742 Ry
estimated scf accuracy < 0.00000006 Ry
The total energy is the sum of the following terms:
one-electron contribution = -39.76215634 Ry
hartree contribution = 18.49605329 Ry
xc contribution = -5.79724512 Ry
ewald contribution = -3.60343922 Ry
- averaged Fock potential = 0.00000000 Ry
+ Fock energy = 0.00000000 Ry
smearing contrib. (-TS) = 0.00000000 Ry
total magnetization = 3.00 Bohr mag/cell
absolute magnetization = 3.00 Bohr mag/cell
convergence has been achieved in 8 iterations
Writing output data file O.q1.save
Writing output data file O.q1.save
init_run : 19.45s CPU 19.73s WALL ( 1 calls)
electrons : 90.46s CPU 94.46s WALL ( 1 calls)
Called by init_run:
wfcinit : 2.45s CPU 2.52s WALL ( 1 calls)
potinit : 5.99s CPU 6.06s WALL ( 1 calls)
Called by electrons:
c_bands : 53.47s CPU 54.43s WALL ( 8 calls)
sum_band : 15.57s CPU 15.78s WALL ( 8 calls)
v_of_rho : 3.35s CPU 3.41s WALL ( 9 calls)
v_h : 1.58s CPU 1.61s WALL ( 9 calls)
v_xc : 1.77s CPU 1.80s WALL ( 9 calls)
mix_rho : 6.16s CPU 6.35s WALL ( 8 calls)
Called by c_bands:
init_us_2 : 0.16s CPU 0.17s WALL ( 34 calls)
cegterg : 53.20s CPU 54.16s WALL ( 16 calls)
Called by sum_band:
Called by *egterg:
h_psi : 53.05s CPU 53.76s WALL ( 55 calls)
g_psi : 0.30s CPU 0.29s WALL ( 37 calls)
cdiaghg : 0.03s CPU 0.01s WALL ( 53 calls)
cegterg:over : 0.69s CPU 0.69s WALL ( 37 calls)
cegterg:upda : 0.76s CPU 0.78s WALL ( 37 calls)
cegterg:last : 0.22s CPU 0.23s WALL ( 16 calls)
Called by h_psi:
h_psi:vloc : 52.44s CPU 53.14s WALL ( 55 calls)
h_psi:vnl : 0.33s CPU 0.34s WALL ( 55 calls)
add_vuspsi : 0.14s CPU 0.17s WALL ( 55 calls)
General routines
calbec : 0.19s CPU 0.17s WALL ( 55 calls)
cft3s : 64.61s CPU 65.56s WALL ( 906 calls)
Parallel routines
fft_scatter : 19.58s CPU 20.40s WALL ( 906 calls)
EXX routines
PWSCF : 1m59.04s CPU time, 2m 4.72s WALL time
This run was terminated on: 17:28:38 17Jun2014
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=

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