..
ADIOS
New ADIOS tracer. Copies trace table into individual quantity arrays. Converts non-scalars to float.
2014-08-15 13:25:58 +00:00
AtomicHF
Replace APPNAMESPACE by qmcplusplus.
2013-05-20 09:43:03 +00:00
CUDA
Allowed for calculations for larger systems (>1500 particles) using GPUs
2014-11-07 19:17:08 +00:00
Estimators
The use of omp_get_thread_num should be a function call.
2016-03-16 17:23:51 +00:00
GUI
Added input of tiling matrix.
2010-05-15 03:52:19 +00:00
HDF
code formatting
2013-04-26 00:14:53 +00:00
Lattice
Fix the bug that optimization paramaters are invoked from the second iteration.
2015-04-20 05:35:12 +00:00
LongRange
parallelized LongRange/LRBreakup.h QMCDrivers/CloneManager.cpp with OMP for fast initialization.
2015-04-08 01:55:21 +00:00
Message
Use 'exit' instead of 'abort' for non-MPI version of APP_ABORT.
2016-02-05 17:12:27 +00:00
Numerics
merge a patch to work with LLVM on Mac using Intel compilers 16 from jnkim.
2015-10-18 04:08:48 +00:00
OOMPI
code formatting
2013-04-26 00:14:53 +00:00
OhmmsApp
Fix restart. Use boost::property_tree if available. Remove adios read/write for qmc state and random number generator.
2013-12-04 16:42:14 +00:00
OhmmsData
C++11 is enabled. As of 6664, code compiles with C++11 or C++98. If compilation is slow, try DISABLE_TRACEMANAGER=1. To fully remove TraceManager, use REMOVE_TRACEMANAGER=1. Please contact JTK if removal is ever required as this option will likely be deprecated in the future.
2015-12-28 23:06:06 +00:00
OhmmsPETE
traces and energy density\n this is a major revision\n changes have been tested against r5971 with the new validation tool
2013-09-13 18:39:44 +00:00
Optimize
C++11 is enabled. As of 6664, code compiles with C++11 or C++98. If compilation is slow, try DISABLE_TRACEMANAGER=1. To fully remove TraceManager, use REMOVE_TRACEMANAGER=1. Please contact JTK if removal is ever required as this option will likely be deprecated in the future.
2015-12-28 23:06:06 +00:00
PETE
Replace APPNAMESPACE by qmcplusplus.
2013-05-20 09:43:03 +00:00
Particle
C++11 is enabled. As of 6664, code compiles with C++11 or C++98. If compilation is slow, try DISABLE_TRACEMANAGER=1. To fully remove TraceManager, use REMOVE_TRACEMANAGER=1. Please contact JTK if removal is ever required as this option will likely be deprecated in the future.
2015-12-28 23:06:06 +00:00
ParticleBase
Replace APPNAMESPACE by qmcplusplus.
2013-05-20 09:43:03 +00:00
ParticleIO
Add PCID (PrimitiveCellID) to map the atoms in a supercell to the atoms in a primitive cell.
2014-03-24 18:26:19 +00:00
Platforms
Compile fix for revs. 6402 and 6399
2014-11-19 18:28:35 +00:00
PseudoGen
code formatting
2013-04-26 00:14:53 +00:00
QMCApp
Silence ReportEngine output by default, except for errors and warnings.
2016-05-16 16:01:41 +00:00
QMCDrivers
Add input parameters for finite difference wavefunction checks.
2016-04-19 17:31:41 +00:00
QMCFactory
code formatting
2013-04-26 00:14:53 +00:00
QMCHamiltonians
Temporary workaround for compile errors until some sode cleanup
2016-05-12 16:54:53 +00:00
QMCTools
Fixing some compile errors for C++11
2016-05-11 18:27:35 +00:00
QMCWaveFunctions
Temporary workaround for compile errors until some sode cleanup
2016-05-12 16:54:53 +00:00
SQD
Add Charge to Psi.
2013-07-01 19:09:54 +00:00
SandBox
einspline cleaned up in the branch but to be checked.
2015-05-22 22:03:59 +00:00
Utilities
Silence ReportEngine output by default, except for errors and warnings.
2016-05-16 16:01:41 +00:00
benchmark
code formatting
2013-04-26 00:14:53 +00:00
boost
Add program options to libboost
2010-01-24 19:23:01 +00:00
config /stdlib
code formatting
2013-04-26 00:14:53 +00:00
dataspork
code formatting
2013-04-26 00:14:53 +00:00
einspline
Changing how compilers are identified in CMake. Adding configure options for clang. Fixing a couple of compile errors for clang.
2016-02-12 20:31:35 +00:00
fft
code formatting
2013-04-26 00:14:53 +00:00
io
fix the wrong communicator in writing *.bandinfo.dat when running ensemble jobs.
2016-01-31 21:38:24 +00:00
mpi
Fix restart. Use boost::property_tree if available. Remove adios read/write for qmc state and random number generator.
2013-12-04 16:42:14 +00:00
simd
evaluateHessian added to TrialWavefunction and OrbitalBase. Currently works with DiracDeterminant.
2014-03-12 00:42:54 +00:00
spline
einspline cleaned up in the branch but to be checked.
2015-05-22 22:03:59 +00:00
tau
Add Profile class to call profiler, Tau and Vampir.
2013-12-03 19:51:54 +00:00
type_traits
Fixing bug with conj for scalar types when compiling wit c++11 support
2016-05-11 16:52:08 +00:00
CMakeLists.txt
Merging CMake_cleanup branch into trunk
2015-09-25 18:06:38 +00:00
CMakeLists.txt.ahf
Update with qmcpack.
2007-04-24 13:27:50 +00:00
Configuration.h
code formatting
2013-04-26 00:14:53 +00:00
HDFVersion.h
code formatting
2013-04-26 00:14:53 +00:00
Makefile.am
autoconf/automake update.
2007-02-08 21:31:37 +00:00
Makefile.in
Create three libraries: qmcutil qmcbase qmc
2006-04-08 17:07:27 +00:00
ParticleTags.cpp
code formatting
2013-04-26 00:14:53 +00:00
ParticleTags.h
code formatting
2013-04-26 00:14:53 +00:00
config.h.cmake.in
C++11 is enabled. As of 6664, code compiles with C++11 or C++98. If compilation is slow, try DISABLE_TRACEMANAGER=1. To fully remove TraceManager, use REMOVE_TRACEMANAGER=1. Please contact JTK if removal is ever required as this option will likely be deprecated in the future.
2015-12-28 23:06:06 +00:00
config.h.in
Rename ohmms-config.h.in as config.h.in
2007-10-09 21:26:49 +00:00
oompi-config.h.cmake.in
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@2242 e5b18d87-469d-4833-9cc0-8cdfa06e9491
2007-10-10 14:20:25 +00:00
qmc_common.cpp
Rename QMCPACK executable qmcpack (was qmcapp). Updated CMake/CTest setup, manual, NEXUS, READMEs. Checked builds on oxygen (gcc, intel2016) before commit.
2016-02-05 20:32:26 +00:00
qmc_common.h
Add memory_allocated to QMCState. Large objects can add how much memory in byte is allocated.
2014-03-24 21:45:19 +00:00
90a3820da6