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https://github.com/triqs/dft_tools
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0cec37f3fc
A list 'type_of_ion' mapping ion index to their types is added to class Poscar. A corresponding test is also added. |
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.. | ||
vasp | ||
__init__.py | ||
converter_tools.py | ||
hk_converter.py | ||
wien2k_converter.py |