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 |
|---|---|---|---|---|---|
✓ |
|||||
✓ |
✓ |
✓ |