pren / poltype

POLTYPE: AMOEBA parametrization tool
https://pren.github.io/poltype
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Find Gaussian executable properly #22

Closed mquevill closed 4 years ago

mquevill commented 4 years ago

This is a more robust method of finding the Gaussian executable (and its directory). I have included g16, since g09 and g03 are relatively outdated, with preference to newer versions, if multiple are installed. (For instance, my cluster has deprecated g09 recently.)