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 for developers

• Master

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

• 7.2.3 Release

git clone  -b hotfix/release-7-2-0 https://github.com/nwchemgit/nwchem.git nwchem-7.2.3

Release 7.2.3

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.2.3-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-srconly.2024-08-27.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-nonsrconly.2024-08-27.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.3.md

Documentation

https://nwchemgit.github.io