# CP2K Description =========== 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 e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. More information ================ - Homepage: https://www.cp2k.org/ ## Availability | Module |Generic|E5|Lake|Epyc|Cascade| |------|------|------|------|------|------| |CP2K/8.2-foss-2021a-CUDA-11.4.1|| ✓ |||| |CP2K/8.2-foss-2021a|| ✓ | ✓ || ✓ |