/physical-validation

Physical validation of molecular simulations

Primary LanguagePythonGNU Lesser General Public License v2.1LGPL-2.1

Physical validation reference

physical_validation is a package aimed at testing results obtained by molecular dynamics simulations for their physical validity.

Please check https://shirtsgroup.github.io/physical-validation for the full reference.

physical_validation largely incorporates the functionality of checkensemble.

This software is developed in the Shirts group at University of Colorado in Boulder.