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dft_tools/python/triqs_dft_tools/converters/plovasp
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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
..
__init__.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
.gitignore synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
atm_desc.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
converter.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
elstruct.py small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
inpconf.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
plotools.py small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
proj_group.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
proj_shell.py Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
sc_dmft.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
vaspio.py small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00