Rocky60@lemm.ee to Asklemmy@lemmy.ml · 1 year agoWhat’s The Strangest Thing You Domessage-squaremessage-square231fedilinkarrow-up1142arrow-down13file-text
arrow-up1139arrow-down1message-squareWhat’s The Strangest Thing You DoRocky60@lemm.ee to Asklemmy@lemmy.ml · 1 year agomessage-square231fedilinkfile-text
minus-squarexkforce@lemmy.worldlinkfedilinkarrow-up21arrow-down1·1 year agoI run molecular structure optimization calculations for fun. i.e draw molecule in jmol, export atomic coordinates to nwchem or ocra, run optimization and freq job, open output file to visualize optimized molecule structure and orbitals rinse repeat.
I run molecular structure optimization calculations for fun. i.e draw molecule in jmol, export atomic coordinates to nwchem or ocra, run optimization and freq job, open output file to visualize optimized molecule structure and orbitals rinse repeat.
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