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

• 6.8.1 Release

git clone -b hotfix/release-6-8 https://github.com/nwchemgit/nwchem.git nwchem-6.8.1

Release 6.8.1

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/6.8.1-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-6.8.1-release.revision-v6.8-133-ge032219-srconly.2018-06-14.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-6.8.1-release.revision-v6.8-133-ge032219-nonsrconly.2018-06-14.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/raw/hotfix/release-6-8/release.notes.6.8

Documentation

https://github.com/nwchemgit/nwchem/wiki