v1thesource / CASTEP

Little programs that help with data manipulation of files in the CASTEP density functional theory code.
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check .param files for duplicates and remove #6

Closed v1thesource closed 7 years ago

v1thesource commented 7 years ago

won't run if there are duplicate parameters

v1thesource commented 7 years ago

This works for now. clean_param.py still needs input sanitising and some more testing.