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61cb087561
dft_tools/python/vasp
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Oleg E. Peil 61cb087561 Added a test to '_proj_group' test suite 
Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
..
examples/simple Added a test to '_proj_group' test suite 2015-11-18 19:02:21 +01:00
test Added a test to '_proj_group' test suite 2015-11-18 19:02:21 +01:00
.gitignore Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
elstruct.py Fixed a bug in 'debug_density_matrix()' 2015-11-10 12:07:13 +01:00
inpconf.py Replaced options EMIN, EMAX with EWINDOW 2015-11-11 18:58:38 +01:00
main.py Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
plotools.py Fixed 'plotools.py' and restructured 'proj_group.py' 2015-11-13 19:09:25 +01:00
proj_group.py Fixed a bug in the orthogonalization routine 2015-11-18 15:17:51 +01:00
proj_shell.py Fixed a bug in the orthogonalization routine 2015-11-18 15:17:51 +01:00
vaspio.py Added orbital labels to 'proj_params' 2015-11-10 15:32:15 +01:00