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* [[ABINIT]] | * [[ABINIT]] | ||
* [[ADF]] | * [[ADF]]/[[AMS]] | ||
* [[AMBER]] | * [[AMBER]] | ||
* [[CP2K]] | * [[CP2K]] | ||
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* [[DL_POLY]] | * [[DL_POLY]] | ||
* [[GAMESS-US]] | * [[GAMESS-US]] | ||
* [[Gaussian]] | * [[Gaussian]] | ||
* [[GPAW]] | |||
* [[GROMACS]] | * [[GROMACS]] | ||
* [http://glotzerlab.engin.umich.edu/hoomd-blue/ HOOMD-blue] | * [http://glotzerlab.engin.umich.edu/hoomd-blue/ HOOMD-blue] | ||
* [[LAMMPS]] | * [[LAMMPS]] | ||
* [[MRCC]] | |||
* [[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] |