@Rocky60@lemm.ee to Asklemmy@lemmy.ml • 2 years agoWhat’s The Strangest Thing You Domessage-square120fedilinkarrow-up1126arrow-down13file-text
arrow-up1123arrow-down1message-squareWhat’s The Strangest Thing You Do@Rocky60@lemm.ee to Asklemmy@lemmy.ml • 2 years agomessage-square120fedilinkfile-text
minus-square@xkforce@lemmy.worldlinkfedilink18•2 years 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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