From 3a32e3278bf00a274061e0c70daa201c4b453c39 Mon Sep 17 00:00:00 2001 From: Easy Build <easybuild@login4.smc.salomon.it4i.cz> Date: Thu, 4 Jan 2018 14:30:03 +0100 Subject: [PATCH] Thu, 04 Jan 2018 14:30:03 +0100 --- salomon.csv | 1 - salomon.md | 1 - 2 files changed, 2 deletions(-) diff --git a/salomon.csv b/salomon.csv index 9d82fd92..15db019c 100644 --- a/salomon.csv +++ b/salomon.csv @@ -49,7 +49,6 @@ ABINIT/7.10.1-intel-2015b,2 ABINIT/8.2.2-intel-2017a,2 ABINIT/8.6.1-intel-2017a-test,2 ABINIT/8.6.1-intel-2017a,2 -ASE/3.15.0-Python-2.7.13-base,2 CP2K/2.6.0-intel-2015b,2 CP2K/5.1,2 LAMMPS/22Sep2017-intel-2017a,2 diff --git a/salomon.md b/salomon.md index 5b36e531..c28c9fdd 100644 --- a/salomon.md +++ b/salomon.md @@ -46,7 +46,6 @@ | Module | Description | | ------ | ----------- | | [ABINIT](http://www.abinit.org/) | Abinit is a plane wave pseudopotential code for doing condensed phase electronic structure calculations using DFT. | -| [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. | | [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. | | [libctl](http://ab-initio.mit.edu/libctl) | libctl is a free Guile-based library implementing flexible control files for scientific simulations. | -- GitLab