Oleg E. Peil 5ec3e881cd Added transformation matrices to ProjectorShell ... Matrices parsed by the config-parser are interpreted as transformation matrices for each ion in the shell. If only one matrix is defined (by TRANSFORM) it is copied for every ion. Whether a matrix is real or complex is derived from its dimensions consistently with other parameters of the shell (such as 'nm = 2*l + 1'). Transformation matrices are stored as complex in any case.		2015-11-11 12:43:51 +01:00
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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 transformation matrices to ProjectorShell	2015-11-11 12:43:51 +01:00
vaspio.py	Added orbital labels to 'proj_params'	2015-11-10 15:32:15 +01:00