Oleg E. Peil 7e13c1cb5b Fixed inequivalent shell determination ... It was incorrect to ascribe VASP atomic sort to corr_shell['sort'], the latter having a different meaning. According to the terminology of Wien2k a sort determines an equivalence class of atoms. Since the implementation at the moment does not support symmetries the atom index is now used as a 'sort' index to make sure that all shells remain inequivalent.		2015-11-10 19:16:41 +01:00
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converters	Fixed inequivalent shell determination	2015-11-10 19:16:41 +01:00
vasp	Added DOSMESH option to section [General]	2015-11-10 16:40:46 +01:00
__init__.py	Moved U_matrix to TRIQS library	2015-06-17 18:19:30 +02:00
.gitignore	Reshuffled some files, added .gitignore	2015-10-21 11:54:22 +02:00
clear_h5_output.py	Fix subgroup name in clear_h5_output.py	2015-03-12 11:01:02 +01:00
CMakeLists.txt	Clean CMakeLists.txt	2013-08-07 16:30:09 +02:00
sumk_dft_tools.py	Removes work around for issue #41	2015-08-10 16:14:51 +02:00
sumk_dft.py	Removes work around for issue #41	2015-08-10 16:14:51 +02:00
symmetry.py	Removes work around for issue #41	2015-08-10 16:14:51 +02:00
trans_basis.py	[doc] New documentation	2015-04-21 14:31:15 +02:00
update_archive.py	Unify notation in sumk_dft_tools.	2015-01-22 10:47:53 +01:00