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 Release

git clone -b release-6-8 https://github.com/nwchemgit/nwchem.git nwchem-6.8

• 6.8.1 Release (in progress)

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

Release 6.8

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v6.8-release
Tar file for download:
https://github.com/nwchemgit/nwchem/releases/download/v6.8-release/nwchem-6.8-release.revision-v6.8-47-gdf6c956-srconly.2017-12-14.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v6.8-release/nwchem-6.8-release.revision-v6.8-47-gdf6c956-nonsrconly.2017-12-14.tar.bz2

Release notes available at
https://raw.githubusercontent.com/nwchemgit/nwchem/release-6-8/release.notes.6.8

Documentation

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