CP2K

CP2K
Developer(s) CP2K developers group
Initial release 2000
Stable release 3.0 / 22 December 2015 (2015-12-22)[1]
Written in Fortran[2]
Operating system Linux
Type Molecular dynamics (simulation)
License GNU General Public License
Website cp2k.org

CP2K is a freely available (GPL) program, written in Fortran 2003, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods: density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) using LDA, GGA, MP2, or RPA level of theory, classical pair and many-body potentials, semi-empirical (AM1, PM3, MNDO, MNDOd, PM6) Hamiltonians, Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid schemes relying on the Gaussian Expansion of the Electrostatic Potential (GEEP).

CP2K provides editor plugins for Vim and Emacs syntax highlighting, along with other tools for input generator and output processing.[3]

See also

Key Papers

External links

References

  1. "CP2K version history wiki page". Retrieved 2016-02-09.
  2. "CP2K about wiki page". Retrieved 2015-03-19.
  3. "CP2K tools". Retrieved 2015-03-19.
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