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NWChem: Open Source High-Performance Computational Chemistry http://nwchemgit.github.io
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fix bandit text warnings
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contrib fix bandit text warnings 2026-06-29 15:24:48 -07:00
doc updates [ci skip] 2022-09-14 13:33:19 -07:00
examples HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
QA test for ma basis 2026-04-30 14:08:04 -07:00
src fix bandit text warnings 2026-06-29 15:24:48 -07:00
travis early exit 2026-06-29 14:32:42 -07:00
web remove DEC OS/F support 2018-08-10 10:44:41 -07:00
.gitignore debris created in nwchem compilations 2017-11-19 10:47:30 -08:00
.gitlab-ci.yml longer qas on macos 2022-08-18 10:48:44 -07:00
.travis.yml two more ppc task for USE_INTERNALBLAS and 64to32 2020-12-03 13:30:58 -08:00
INSTALL remove DEC OS/F support 2018-08-10 10:44:41 -07:00
INSTALL.binbuilds HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
LICENSE.TXT 2020 2020-02-28 15:03:59 -08:00
README.md Fix EMSL logo link in README [ci skip] 2026-03-26 14:19:01 -07:00
release.notes.3.2.1 log cleanup 2017-11-19 09:59:31 -08:00
release.notes.3.3 Added 3.3.1 release notes. 1999-09-29 22:20:36 +00:00
release.notes.4.0 Tjerk's additions 2001-01-16 23:06:43 +00:00
release.notes.4.1 Updated release notes: MD, Prepare, Analysis, QM/MM 2002-03-05 00:43:22 +00:00
release.notes.4.5 fixed typo 2003-05-06 23:15:19 +00:00
release.notes.4.6 Minor change 2004-05-24 13:19:02 +00:00
release.notes.4.7 ...EJB 2005-05-14 18:43:46 +00:00
release.notes.5.0 add 5.0 release note 2006-11-16 16:59:38 +00:00
release.notes.5.1 ...EJB 2007-12-21 19:59:36 +00:00
release.notes.5.1.1 add 511 to tree 2009-03-17 22:26:15 +00:00
release.notes.6.0 HvD: Added the 6.0 release notes to the development verion in analogy 2011-04-19 21:05:21 +00:00
release.notes.6.1 release notes for 6.1 added 2012-01-27 20:02:27 +00:00
release.notes.6.8 NWXC module excluded from NWCHEM_MODULES=all [ci skip] 2018-01-12 10:34:01 -08:00
release.notes.6.8.1 ifort 17 needed for compiling offloading code on KNC [ci skip] 2018-02-06 17:05:38 -08:00
release.notes.7.0.0 typo https://github.com/nwchemgit/nwchem/issues/225 2020-07-02 09:13:28 -07:00
release.notes.7.0.1 Update 2020-10-09 15:36:27 -07:00
release.notes.7.0.2 formatting [ci skip] 2020-10-12 22:26:36 -07:00
release.notes.7.2.0 typo [ci skip] 2023-01-19 13:47:51 -08:00
release.notes.7.2.1.md Update release.notes.7.2.1.md [ci skip] 2023-10-04 11:17:59 -07:00
release.notes.7.2.2.md 7.2.2 [ci skip] 2023-11-03 18:04:24 -07:00
release.notes.7.2.3.md 723 release notes [ci skip] 2024-08-23 18:44:23 -07:00
release.notes.7.3.0.md BSE 2025-10-22 13:23:23 -07:00
release.notes.7.3.1.md 731 release notes [ci skip] 2025-11-06 14:07:23 -08:00

README.md

NWChem_CI

License
GitHub top language Github Downloads All Releases
Homebrew DownloadsConda-Forge DownloadsDocker Pulls
Github Downloads Release 6.8 Github Downloads Release 6.8.1
Github Downloads Release 7.0.0 Github Downloads Release 7.0.2
Github Downloads Release 7.2.0 Github Downloads Release 7.2.1
Github Downloads Release 7.2.2 Github Downloads Release 7.2.3 Github Downloads Release 7.3.0 Github Downloads Release 7.3.1

All Releases tags GitHub Release Date
EMSL

NWChem: Open Source High-Performance Computational Chemistry

NWChem logo 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
  • 7.3.1 Release
git clone  -b hotfix/release-7-3-0 https://github.com/nwchemgit/nwchem.git nwchem-7.3.1

Release 7.3.1

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.3.0-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-srconly.2025-11-06.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-nonsrconly.2025-11-06.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.3.1.md

Documentation

https://nwchemgit.github.io