Description
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations molecularsimulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods differentmethods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical andclassical pair and many-body potentials.
More information
- Homepage: https://www.cp2k.org/
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