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CP2K

CP2K
BerliOS Developery

CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as for example density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.

 

  • Version:

    • JUQUEEN: CP2K 3.0.0
    • JURECA: CP2K 4.1

 

Contact: Annika Hagemeier


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