Computational Codes

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• ADF

• CP2K

• DACAPO

• DL POLY

• GAUSSIAN

• GROMACS

• JAGUAR

• MACROMODEL

• Maestro

• MATHEMATICA

• NWCHEM

• ORCA

• TeraChem

• TURBOMOLE

• VASP

• YE_OLDE_EXTENDED_HUCKEL_CODES for Windows

List of useful software (with links for downloading) [1]