Oleg E. Peil 5585e81f7d Added two tests for 'get_block_matrix_map()' ...

Two tests have been added for testing the basic functionality with
NORMION being either False or True.

2015-11-19 15:56:30 +01:00

..

examples/simple

Removed files accidentally added in the previous commit

2015-11-18 19:05:48 +01:00

test

Added two tests for 'get_block_matrix_map()'

2015-11-19 15:56:30 +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 some errors introduced in the previous commit

2015-11-19 14:56:34 +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