scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
qmcpack/nexus/library
History
Jaron Krogel 85922dc6fc nexus: silence minimum node warnings on Vesta (put back after school) 
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6905 e5b18d87-469d-4833-9cc0-8cdfa06e9491
 		2016-05-16 18:44:22 +00:00
..
legacy Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
atomscf.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
basisset.py nexus: add missing basisset.py 2015-11-20 16:55:48 +00:00
bundle.py nexus: small bugfix for bundled jobs 2015-12-22 14:27:07 +00:00
crystal.py nexus: add missing basisset.py 2015-11-20 16:55:48 +00:00
debug.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
developer.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
execute.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
fileio.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
gamess.py allow the use of rungms script 2016-01-21 21:59:09 +00:00
gamess_analyzer.py nexus: add CCSD(T) energy to energy component 2016-03-09 21:42:07 +00:00
gamess_input.py nexus: allow list input for gamess arrays 2016-01-27 17:57:49 +00:00
generic.py nexus: move to sys.exit generically 2016-01-20 16:34:29 +00:00
graph.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
hdfreader.py nexus: allow list input for gamess arrays 2016-01-27 17:57:49 +00:00
machines.py nexus: silence minimum node warnings on Vesta (put back after school) 2016-05-16 18:44:22 +00:00
memory.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
nexus.py nexus: fix interactive mode for supercomputers 2016-02-19 20:58:13 +00:00
nexus_base.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
numerics.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
opium.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
periodic_table.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
physical_system.py nexus: protect twist averaged runs from cusp correction check 2016-05-12 17:10:34 +00:00
plotting.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
project_manager.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
pseudopotential.py nexus: support structure read from xsf files 2016-01-29 15:27:25 +00:00
pw2casino.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
pwscf.py nexus: add convergence check for pwscf 2016-02-08 18:27:58 +00:00
pwscf_analyzer.py nexus: record cell parameters, pressure and stress during vc-relax 2016-01-21 22:51:39 +00:00
pwscf_data_reader.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
pwscf_input.py nexus: fix interactive mode for supercomputers 2016-02-19 20:58:13 +00:00
qmcpack.py nexus: fix for querying optimization status of twist averaged runs 2016-05-13 17:05:23 +00:00
qmcpack_analyzer.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
qmcpack_analyzer_base.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
qmcpack_converters.py nexus: allow the use of ptcl.xml from convert4qmc with qmc.dependencies=(c4q,'particles') 2016-02-02 23:44:38 +00:00
qmcpack_input.py nexus: strictly prevent jastrow cutoffs from exceeding the simulation cell inscribing radius 2016-04-07 21:34:38 +00:00
qmcpack_method_analyzers.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
qmcpack_property_analyzers.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
qmcpack_quantity_analyzers.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
qmcpack_result_analyzers.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
simulation.py nexus: protect twist averaged runs from cusp correction check 2016-05-12 17:10:34 +00:00
sqd.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
sqd_analyzer.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
sqd_input.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
structure.py nexus: protect twist averaged runs from cusp correction check 2016-05-12 17:10:34 +00:00
superstring.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
template_simulation.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
unit_converter.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
vasp.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
vasp_analyzer.py nexus: descriptive headers for all files 2015-07-29 17:41:20 +00:00
vasp_input.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00
xmlreader.py Major updates to Nexus: see full text of message 2015-11-11 19:39:04 +00:00