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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
dft_tools/python/triqs_dft_tools
the-hampel 6a893840ee use IBZ kpoint list for writing GAMMA vaspgamma.h5
* use IBZ kpoint list for writing GAMMA vaspgamma.h5
* make vaspgamma.h5 default
* write n_k_ibz into dft_misc_input so in can be used inside of sumk
* write n_k_ibz into seed.ctrl json file
* change ref h5 files for VASP tests by adding n_k_ibz
* add new svo converter test
2024-11-19 12:38:07 +01:00
..
converters use IBZ kpoint list for writing GAMMA vaspgamma.h5 2024-11-19 12:38:07 +01:00
__init__.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
block_structure.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
clear_h5_output.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
CMakeLists.txt Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2021-02-03 11:03:08 -05:00
sumk_dft_tools.py minor doc fixes 2023-06-19 16:38:50 -04:00
sumk_dft_transport.py adding comments regarding PR #246 2024-08-16 11:54:36 -04:00
sumk_dft.py use IBZ kpoint list for writing GAMMA vaspgamma.h5 2024-11-19 12:38:07 +01:00
symmetry.py update documentation to use autosummary 2022-03-02 14:13:12 -05:00
trans_basis.py Update trans_basis for new gf_struct convention. 2022-03-08 17:47:36 +01:00
util.py [doc] fix typo in doi id of DC function 2024-04-09 09:55:02 -04:00
version.py.in synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00