Translations:Computational chemistry/9/en: Difference between revisions

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* [https://www.abinit.org/ Abinit]
* [[ABINIT]]
* [http://www.cp2k.org/ CP2K]  
* [[ADF]]/[[AMS]]
* [http://cpmd.org CPMD]
* [[AMBER]]
* [[CP2K]]  
* [[CPMD]]
* [[Dalton]]
* [http://www.demon-software.com/public_html/program.html deMon]
* [http://www.demon-software.com/public_html/program.html deMon]
* [http://www.msg.chem.iastate.edu/gamess/index.html GAMESS-US]
* [[DL_POLY]]
* [[Gaussian]] (on Graham only)
* [[GAMESS-US]]
* [[Gaussian]]
* [[GPAW]]
* [[GROMACS]]
* [http://glotzerlab.engin.umich.edu/hoomd-blue/ HOOMD-blue]
* [[LAMMPS]]
* [[MRCC]]
* [[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://simtk.org/home/openmm OpenMM]
* [[ORCA]]
* [[ORCA]]
* [http://www.plumed-code.org PLUMED]
* [http://www.psicode.org/ PSI4]
* [http://www.psicode.org/ PSI4]
* [[Quantum ESPRESSO]]
* [[Quantum ESPRESSO]]
* [https://www.rosettacommons.org Rosetta]
* [http://departments.icmab.es/leem/siesta SIESTA]
* [http://departments.icmab.es/leem/siesta SIESTA]
* [[VASP]]
* [[VASP]]
* See the [[Biomolecular simulation]] page for a discussion on the resources relevant to this area of research.
* [https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/xtb XTB (Extended Tight Binding)]

Latest revision as of 17:15, 30 April 2024

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Message definition (Computational chemistry)
* [[ABINIT]]
* [[ADF]]/[[AMS]]
* [[AMBER]]
* [[CP2K]] 
* [[CPMD]]
* [[Dalton]]
* [http://www.demon-software.com/public_html/program.html deMon]
* [[DL_POLY]]
* [[GAMESS-US]] 
* [[Gaussian]]
* [[GPAW]] 
* [[GROMACS]]
* [http://glotzerlab.engin.umich.edu/hoomd-blue/ HOOMD-blue]
* [[LAMMPS]]
* [[MRCC]]
* [[NAMD]]
* [https://nbo7.chem.wisc.edu/ NBO] is included in several of our [[Gaussian#Notes|Gaussian]] modules.
* [http://www.nwchem-sw.org NWChem]
* [https://openkim.org/ OpenKIM]
* [https://simtk.org/home/openmm OpenMM]
* [[ORCA]]
* [http://www.plumed-code.org PLUMED]
* [http://www.psicode.org/ PSI4]
* [[Quantum ESPRESSO]]
* [https://www.rosettacommons.org Rosetta]
* [http://departments.icmab.es/leem/siesta SIESTA]
* [[VASP]]
* [https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/xtb XTB (Extended Tight Binding)]
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