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https://github.com/triqs/dft_tools
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1f57cd1935
Added a check to 'check_data_consistency()' that verifies that each shell contains only one sort of ions. Also added a non-functioning test (implementation is commented) for the function. It requires a full set of VASP files for an example with multiple atom sorts. |
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.. | ||
vasp | ||
__init__.py | ||
converter_tools.py | ||
hk_converter.py | ||
wien2k_converter.py |