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Showing posts with label
multiwfn
.
Show all posts
Showing posts with label
multiwfn
.
Show all posts
20 August 2018
653. Energy decomposition analysis the manual/multiwfn way -- nwchem
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I have a very large system (390 atoms, 3918 functions, 6474 primitives) where I want to analyse the bonding. Whereas I can reduce the size o...
31 January 2017
633. Multiwfn on debian, with gaussian
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Not much to say. I wanted to do some Bader-type AIM analyses, and I don't have AIM2000/AIMPAC. Multiwfn can do this, and a lot more. ...
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