From 1b67dd293152009e918602d389ccc382fca9f691 Mon Sep 17 00:00:00 2001 From: easybuild <easybuild@login2.bullx> Date: Fri, 2 Mar 2018 13:30:03 +0100 Subject: [PATCH] Fri, 02 Mar 2018 13:30:03 +0100 --- anselm.csv | 1 + anselm.md | 1 + 2 files changed, 2 insertions(+) diff --git a/anselm.csv b/anselm.csv index 3feb4b5f..8f637a9a 100644 --- a/anselm.csv +++ b/anselm.csv @@ -165,6 +165,7 @@ comsol/50-COM,1 comsol/50-EDU,1 COMSOL/52-COM,1 COMSOL/52-EDU,1 +CP2K/5.1,1 cp2k-mpi/2.5.1-gcc,1 cube/4.2.3-gcc,1 cube/4.2.3-icc,1 diff --git a/anselm.md b/anselm.md index 461c3581..352feb68 100644 --- a/anselm.md +++ b/anselm.md @@ -33,5 +33,6 @@ | ------ | ----------- | | ABINIT | | | [ASE](https://wiki.fysik.dtu.dk/ase/) | ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. | +| [CP2K](http://www.cp2k.org/) | 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. | | cp2k-mpi | | | lammps | | -- GitLab