Moses Chung

Hi Jay, I implemented GaussVol in this branch of Tinker. You should be able to turn on GaussVol with the keyword "cavmodel gauss-disp". The energy, analysis, and gradient routines all...

Hi Jay, I added two arrays radvdw and epsvdw, which are 1D arrays for the van der Waals radii and well depth. I've included the setup in the kvdw.f routine...

Created Progress note

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Changed 'ProgressNote' to 'PsychNote' and created new model 'ProgressNotes'.