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Computational chemistry: Difference between revisions
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* [http://cpmd.org CPMD] | * [http://cpmd.org CPMD] | ||
* [http://www.demon-software.com/public_html/program.html deMon] | * [http://www.demon-software.com/public_html/program.html deMon] | ||
* | * [http://www.scd.stfc.ac.uk/SCD/44516.aspx DL_POLY] | ||
* [http://www.msg.chem.iastate.edu/gamess/index.html GAMESS-US] | * [http://www.msg.chem.iastate.edu/gamess/index.html GAMESS-US] | ||
* [[Gaussian]] | * [[Gaussian]] | ||
* [[GROMACS]] | * [[GROMACS]] | ||
* LAMMPS | * [http://lammps.sandia.gov/ LAMMPS] | ||
* [[NAMD]] | * [[NAMD]] | ||
* [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]] | ||