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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 12:23:41 +01:00
dft_tools/python/vasp
Oleg E. Peil f96e4dfe9e Added consistency check of projector characters
Since in the new implementation the projectors produced by VASP
are output only for selected functions it is necessary to check
that input cfg-file specifies only those projectors that were selected
in the INCAR file. The consistency routine checks for every shell
and site/orbital character that a corresponding projector is present
in PROJCAR.
2015-10-14 19:32:12 +02:00
..
examples/simple Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
test Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
.gitignore Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
elstruct.py Renamed 'params' to 'proj_params' in class Plocar 2015-10-14 17:44:01 +02:00
inpconf.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
main.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
plotools.py Added consistency check of projector characters 2015-10-14 19:32:12 +02:00
vaspio.py Renamed 'params' to 'proj_params' in class Plocar 2015-10-14 17:44:01 +02:00