Oleg E. Peil cefaf9dda4 Added TRANSFILE option to the config-parser ...

TRANSFILE option provides a filename containing transformation
matrices for all ions of a projected shell.
The parser simply reads the numbers into a 2d-array which is left
for interpretation at a later stage.

2015-11-11 11:36:09 +01:00

..

examples/simple

Reshuffled files after repository merge

2015-10-13 11:27:55 +02:00

test

Added a format check for EIGENVAL to vaspio.py

2015-10-16 11:59:02 +02:00

.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

Added TRANSFILE option to the config-parser

2015-11-11 11:36:09 +01:00

main.py

Added density and overlap matrix output ot ElStruct

2015-10-16 16:27:49 +02:00

plotools.py

Added DOSMESH option to section [General]

2015-11-10 16:40:46 +01:00

vaspio.py

Added orbital labels to 'proj_params'

2015-11-10 15:32:15 +01:00