NWChem: Open Source High-Performance Computational Chemistry

NWChem is actively developed by a consortium of developers and maintained by the Environmental Molecular Sciences Laboratory (EMSL), a US DOE Office of Science User Facility located at the Pacific Northwest National Laboratory (PNNL) in Washington State

Scalable computational chemistry tools

Source download instructions

• Master

git clone https://github.com/nwchemgit/nwchem.git

• 7.0.2 Release

git clone -b hotfix/release-7-0-0 https://github.com/nwchemgit/nwchem.git nwchem-7.0.2

Release 7.0.2

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.0.2-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-srconly.2020-10-12.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-nonsrconly.2020-10-12.tar.bz2
Release notes available at
https://raw.githubusercontent.com/nwchemgit/nwchem/v7.0.2-release/release.notes.7.0.2

Documentation

https://nwchemgit.github.io