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pren / poltype

POLTYPE: AMOEBA parametrization tool
https://pren.github.io/poltype
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Improve Psi4 input file generation #26

Closed mquevill closed 4 years ago

mquevill commented 4 years ago

This is mostly improving the whitespace on Psi4 input files (.dat) so that they are more readable and user-friendly.