Oleg E. Peil ac46611e51 Fixed freezing issue in CSC run; better exception handling ... In some MPI implementations the self-consistent run of `sc_dmft.py` resulted in random freezings. This issue was fixed by polling the VASP lock file only on the master node. Also, better exception handling is implemented, allowing all nodes to exit properly in case of error.		2016-12-31 14:42:43 +01:00
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examples	Fixed test case 'two_site' and added example 'two_site'	2016-03-24 21:37:20 +01:00
__init__.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
.gitignore	Moved PLOVasp files to converters/plovasp	2015-11-27 10:48:15 +01:00
atm_desc.py	Added wrapper description file for ATM	2016-03-09 19:04:05 +01:00
CMakeLists.txt	Fixed 'atm' test	2016-03-24 14:30:50 +01:00
converter.py	Added a shell script for running PLOVasp converter	2016-03-11 11:35:19 +01:00
elstruct.py	Added site-dependent phases to projectors	2016-09-13 11:47:13 +02:00
inpconf.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
plotools.py	Added site-dependent phases to projectors	2016-09-13 11:47:13 +02:00
proj_group.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
proj_shell.py	Removed k-phases from projectors and fixed tests	2016-12-31 10:51:38 +01:00
sc_dmft.py	Fixed freezing issue in CSC run; better exception handling	2016-12-31 14:42:43 +01:00
vaspio.py	Fixed 'proj_shell' test suite	2016-03-24 19:34:29 +01:00