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mirror of https://github.com/triqs/dft_tools synced 2024-12-24 21:33:43 +01:00
dft_tools/python/triqs_dft_tools/converters/plovasp
Alexander Hampel 23723bc580 [vasp] change normion default to False
In coordination with M. Aichorn and O. Peil we decided to change the
default of the normion to False. This is closed to the behavior of the
other converters w90, elk, and wien2k, which will always orthonormalize
all projectors in a unit cell together (normion=False) and not per ion
site (normion=True). Changed tests accordingly.
2023-07-24 11:30:39 -04:00
..
__init__.py update documentation to use autosummary 2022-03-02 14:13:12 -05:00
.gitignore synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
atm_desc.py Automated porting to triqs + meshes + nda 2021-05-26 17:59:50 -04:00
converter.py [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00
elstruct.py fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00
inpconf.py [vasp] change normion default to False 2023-07-24 11:30:39 -04:00
plotools.py Non-collinear projectors VASP.6. 2022-10-05 16:29:01 -04:00
proj_group.py [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00
proj_shell.py (style) add proper logging for warnings and debug info 2023-03-24 17:43:19 +01:00
sc_dmft.py [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00
vaspio.py [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00