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