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![]() 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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.. | ||
_inpconf | ||
_plocar_io | ||
_plotools | ||
_vaspio | ||
.gitignore | ||
run_all.sh | ||
test_all.py |