From 0a3f7372ec49498cb5d0035b6f7561290ec6f18b Mon Sep 17 00:00:00 2001 From: easybuild <easybuild@login2.bullx> Date: Thu, 18 Jan 2018 13:45:03 +0100 Subject: [PATCH] Thu, 18 Jan 2018 13:45:02 +0100 --- anselm.csv | 1 + anselm.md | 1 + 2 files changed, 2 insertions(+) diff --git a/anselm.csv b/anselm.csv index b2389a04..60cd3561 100644 --- a/anselm.csv +++ b/anselm.csv @@ -482,6 +482,7 @@ Keras/2.0.5-Theano-1.2.0-Python-3.6.1,1 Keras/2.0.8-Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1,1 Keras/2.1.2-Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1,1 lam/7.1.4-icc,1 +LAMMPS/17Jan2018-intel-2017a-CUDA,1 lammps/28Jun14,1 LevelDB/1.18,1 libcerf/1.5,1 diff --git a/anselm.md b/anselm.md index 33114e7c..79d4304b 100644 --- a/anselm.md +++ b/anselm.md @@ -34,6 +34,7 @@ | [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-mpi | | | lammps | | +| [LAMMPS](http://lammps.sandia.gov) | LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. Has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. | | libxc | | | molpro | | | namd | | -- GitLab