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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 12:23:41 +01:00
dft_tools/python/triqs_dft_tools
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
..
converters [vasp] change normion default to False 2023-07-24 11:30:39 -04:00
__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 [fix] update mpi.all_reduce calls 52bccac 2023-06-02 10:51:48 -04:00
sumk_dft.py [fix] issue #216 correctly use beta when calling density on MeshReFreq 2023-06-28 16:18:43 -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
util.py outsource calc_DC_from_density into util.py and cleanup 2023-03-21 09:34:49 -04:00
version.py.in synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00