3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-22 20:34:38 +01:00
Commit Graph

8 Commits

Author SHA1 Message Date
Oleg E. Peil
46b3dd0667 Renamed module 'c/vasp' to 'c/plovasp' 2015-11-27 10:52:07 +01:00
Oleg E. Peil
401d416d4d Fixed 'plotools.py' and restructured 'proj_group.py'
Added missing import of ProjectorGroup and ProjectorShell to
'plotools.py'.
Moved separate routines 'orthogonalize_projector_matrix()'
and 'select_bands()' into class ProjectorGroup because these
routines are anyway not used elsewhere outside this class.
2015-11-13 19:09:25 +01:00
Oleg E. Peil
7957f4b036 Fixed C-modules to make them importable 2015-10-22 12:30:24 +02:00
Oleg E. Peil
236d2db3a6 Fixed 'dos_atm' to make it compatible with new Numpy API
The access to Numpy arrays has been modified to conform the new Numpy
API standard. Also, some unsued variable have been removed/commented
out.
2015-10-21 13:42:40 +02:00
Oleg E. Peil
30c1274c41 Added C-implementation of the analytical tetrahedron method 2015-10-21 12:07:48 +02:00
Oleg E. Peil
9c7e63ebae Reshuffled some files, added .gitignore 2015-10-21 11:54:22 +02:00
Oleg E. Peil
d78756ce75 Added a future C-parser for VASP projectors
At the moment the file have just been copied from 'c_plocar_io.c'
and most of the old functionality is commented out. Eventually, this
should become a parser of PROJCAR, LOCPROJ written in C for greater
performance on large files.
2015-10-14 11:42:19 +02:00
Oleg E. Peil
819fc987f0 Reshuffled files after repository merge
The files from the original vasp-interface repository are reshuffled in
accord with the directory structure of dft_tools. Some of the directories,
such as 'test' (unit tests for the interface), 'examples' (simple examples for
the development purposes) are temporarily placed into 'python/vasp' directory
to avoid confusion with integral tests and examples of dft_tools.
2015-10-13 11:27:55 +02:00