MDStressLab - Computing Stress Fields in Atomistic Simulations

MDStressLab – Computing Stress Fields in Atomistic Simulations

MDStressLab is a program for computing stress fields from the results of molecular statics and molecular dynamics simulations.

License

MDStressLab code is distributed under the CDDL open source license.

System Requirements

MDStressLab has the following requirements:

MDStressLab is designed to work in a Unix/Linux/MacOS X environment.
MDStressLab is written in Fortran 2003. It can be compiled with the open source gfortran package.
MDStressLab requires the Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API) framework. The KIM API package is available at https://openkim.org/kim-api. See below for the required version of the KIM API.

Download

The available versions of MDStressLab are listed below:

Version	Release Date	Required KIM API Version	Tarball
1.2.0	01-Aug-2017	1.7.3	MDStressLab_v1.2.0.tgz (gzipped tarball)
1.1.0	06-Jul-2016	1.7.1	MDStressLab_v1.1.0.tgz (gzipped tarball)
1.0.0	21-May-2015	1.7.1	MDStressLab_v1.0.0.tgz (gzipped tarball)

After you download the tarball, cd to the directory where you want to install MDStressLab and place the tarball there. Then do the following:

% tar zxvf MDStressLab_vX.X.X.tgz
% cd MDStressLab

Read the README file in this directory and follow the instructions to compile and run MDStresLab. You should also read the MDStressLab User Manual for the version of the code you downloaded included in the docs directory.