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dft_tools/python/triqs_dft_tools
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Alexander Hampel af8cde628e small adjustments to Vasp converter (closes #146) 
* adding kpts_basis, kpts, and kpt_weights to h5 dft_input
* read these properties as optional arguments in Sumk_dft.py
* change accordingly the ref h5 files for vasp converter test
* soon all converters are demanted to store those properties
* bz_weights should then be replaced by kpt_weights
* closes PR #146
2020-08-03 12:39:34 +02:00
..
converters small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
__init__.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
block_structure.py Merge branch 'unstable' into py3 2020-06-23 10:53:52 +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/py3' into py3 2020-06-10 18:32:13 -04:00
sumk_dft_tools.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
sumk_dft.py small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
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