Here's a generic way of building wine which works for 1.5.31 (and 1.5.28 and everything in between except 1.5.31). See here for i...

I probably would've been more excited about this about a year ago when I 'believed' in implicit solvation models (nothing's ...

Just a simple comparison of different versions of nwchem on different hardware. It's mostly interesting to myself as a general guide to ...