Thu, 18 Jan 2018 13:45:02 +0100

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

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 |   |