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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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.. | ||
c/plocar_io | ||
doc | ||
examples/simple | ||
python | ||
test | ||
notes.txt |