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e06653d7bb
dft_tools/python/triqs_dft_tools
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phibeck e06653d7bb This fix in the Wannier90Converter makes the function find_rot_mat 
safer to use in case there are errors in finding the correct mapping.
The converter will now abort if the agreement in mapping is below a
user-definable threshold.
2021-11-15 15:20:08 -05:00
..
converters This fix in the Wannier90Converter makes the function find_rot_mat 2021-11-15 15:20:08 -05:00
__init__.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
block_structure.py Bugfixes in blockstructure.py for the case of #corr_shells != #ineq_shells 2021-08-31 08:01:12 +02:00
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 vectorize loop over frequencies in spaghettis 2021-10-13 17:37:33 -04:00
sumk_dft.py Adapt sumk_dft for charge self-consistency with Quantum Espresso 2021-11-04 15:18:15 -04:00
symmetry.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
trans_basis.py Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
update_archive.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
version.py.in synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00