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Computational chemistry: Difference between revisions
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add hint to NBO
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* [[LAMMPS]] | * [[LAMMPS]] | ||
* [[NAMD]] | * [[NAMD]] | ||
* [https://nbo7.chem.wisc.edu/ NBO] is included in several of our [[Gaussian#Notes|Gaussian]] modules. | |||
* [http://www.nwchem-sw.org NWChem] | * [http://www.nwchem-sw.org NWChem] | ||
* [https://openkim.org/ OpenKIM] | * [https://openkim.org/ OpenKIM] | ||