https://biomolmd.org/mw/index.php?action=history&feed=atom&title=Research%3APenetrationResearch:Penetration - Revision history2026-10-23T06:49:23ZRevision history for this page on the wikiMediaWiki 1.43.1https://biomolmd.org/mw/index.php?title=Research:Penetration&diff=2092&oldid=prevEew947: Created page with "==Multipoles for monomers== From poltype: ~pren/poltype-1.1.3-dev/poltype.py.0.1 -s *.sdf -n 8 -m 6000MB -M 120GB --do-tor-qm-opt --espbasisset=aug-cc-pvtz & Files are in: ... ==SAPT energy for dimer interactions== ===SAPT2+0 methods=== ===SAPT energy data and structures=== ==CP parameter fitting== ..."2025-04-21T23:07:35Z<p>Created page with "==Multipoles for monomers== From poltype: ~pren/poltype-1.1.3-dev/poltype.py.0.1 -s *.sdf -n 8 -m 6000MB -M 120GB --do-tor-qm-opt --espbasisset=aug-cc-pvtz & Files are in: ... ==SAPT energy for dimer interactions== ===SAPT2+0 methods=== ===SAPT energy data and structures=== ==CP parameter fitting== ..."</p>
<p><b>New page</b></p><div>==Multipoles for monomers==<br />
<br />
From poltype:<br />
~pren/poltype-1.1.3-dev/poltype.py.0.1 -s *.sdf -n 8 -m 6000MB -M 120GB --do-tor-qm-opt --espbasisset=aug-cc-pvtz &<br />
<br />
Files are in:<br />
...<br />
<br />
==SAPT energy for dimer interactions==<br />
<br />
===SAPT2+0 methods===<br />
===SAPT energy data and structures===<br />
<br />
==CP parameter fitting==<br />
<br />
...</div>Eew947