name: geometricmd
description: A Geometric Method for Molecular Dynamics based on the Maupertuis principle. A parallel Python script which performs molecular dynamics calculations solving transition path problems. It uses the Atomistic Simulation Environment to describe molecular systems and their calculator to determine forces and potential energies.
license_spdx: LGPL-3.0
version: 1.3
spec_version: 1.0
home_url: https://suttond.github.io/GeometricMD
news_url: https://libraries.io/pypi/geometricmd/versions.atom
date: 2015-07-16
about_resource: NONE
libraries_io_url: https://libraries.io/pypi/geometricmd?number=1.3
vcs_tool: git
vcs_repository: https://github.com/suttond/GeometricMD
vcs_branch: master
