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mirror of https://github.com/triqs/dft_tools synced 2024-06-29 08:24:54 +02:00
dft_tools/python/triqs_dft_tools
alberto-carta 0d25aefc73 Corrections for new calc_dc and calc_mu
* typos and subbed check in spin polarized calculations for quantum espresso with a warning when computing the deltaN
* fixed typos in comments
* removed legacy mode maintaining only compatibility layer and switched to old (<3.10) python syntax
* added target density output in mu finder for brent and newton, refactored tunit test for DC, changed some comments
2023-03-21 09:34:49 -04:00
..
converters fix: fix f2py command for numpy ver >1.22 2023-01-23 15:57:53 -05:00
__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 fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00
sumk_dft.py Corrections for new calc_dc and calc_mu 2023-03-21 09:34:49 -04:00
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
version.py.in synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00