CP2K
| CP2K logo | |
| Developer(s) | CP2K developers group |
|---|---|
| Initial release | 2000 |
| Stable release | 3.0 / 22 December 2015[1] |
| Written in | Fortran[2] |
| Operating system | Linux |
| Type | Molecular dynamics (simulation) |
| License | GNU General Public License |
| Website | cp2k |
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
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External links
- Official CP2K Website
- Users' Forum
- 1st CP2K Tutorial: Enabling the power of imagination in MD Simulations
- 2nd CP2K Tutorial: Enabling the power of imagination in MD Simulations
- Ascalaph, a 3rd party graphical shell for CP2K and other quantum chemistry software
References
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