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cp2k - A molecular dynamics engine capable of classical and Car-Parrinello simulations

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.

This package contains the single process version.

Packages

- make Summary more descriptive
- use atlas instead of blas/lapack

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