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qmcpack/utils
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Mark Dewing d0afcdd8fe Remove dependence on numpy in testing script. 
This should enhance the portability of the test suite.  Only the standard
Python distribution should be necessary.


git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@7034 e5b18d87-469d-4833-9cc0-8cdfa06e9491
 		2016-07-14 19:56:24 +00:00
..
ConfigureScripts.pl More perl scripts added... 2011-10-07 20:30:35 +00:00
DMCEnergy.py Adding statistics and plotting utilities. 2008-08-26 20:12:58 +00:00
Energy.py Update Energy.py tool. 2009-11-06 20:26:33 +00:00
FWforces.py Adding utility for forward-walking forces. 2009-01-25 05:18:38 +00:00
Forces.py Adding utility for forward-walking forces. 2009-01-25 05:18:38 +00:00
OptProgress.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
PlotBsplConv.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
PlotDMC.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
PlotDMC.py Properly number DMC steps in PlotDMC. 2009-08-12 13:11:19 +00:00
PlotTstepConv.pl add quadratic from Lshulen's script 2016-01-11 17:09:37 +00:00
PlotTwistConv.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
PlotTwists.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
TwistAvg.pl Multiple perl scripts including setup-qmc.pl for automating common tasks when using pwscf as a starting point. Also performance improvements for energy.pl 2011-10-07 20:29:00 +00:00
bgrunjobhelper.sh add a helper script to run ctest on BGQ 2015-12-17 05:41:27 +00:00
check_input.py Working on input checker. 2010-02-20 02:12:29 +00:00
check_qmcsystem.py Working on input checker. 2010-02-20 02:12:29 +00:00
check_scalars.py Remove dependence on numpy in testing script. 2016-07-14 19:56:24 +00:00
cuspcorrection.py Script to add cuspCorrection to MO wavefunctions. 2013-07-12 20:11:24 +00:00
energy.pl updates to scripts for pwscf integration 2012-02-17 17:07:06 +00:00
generate.py Adding handy input file generator. 2008-08-27 22:41:05 +00:00
getBestSupercell.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
make_qmcpack_release.sh Bugfix for exported subversion number 2014-07-29 21:14:33 +00:00
plot_fsatom.py Adding plotting of -Z/r term. 2010-05-26 23:13:46 +00:00
setup-qmc-conf.pl Fixes to setup-qmc.pl, addition of some all electron functionality and ibrav=4 2012-07-12 17:39:04 +00:00
setup-qmc.pl updated version of setup-qmc.pl from L. Shulenburger with source on the determinant input 2015-04-21 21:02:11 +00:00
single_stat.perl Add a perl script to calculate the energy for quick analysis. 2011-02-06 00:07:05 +00:00