NWChem: Open Source High-Performance Computational Chemistry http://nwchemgit.github.io
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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
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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

Build Travis-CI Status License Github Downloads All Releases Github Downloads Release 6.8 Github Downloads Release 6.8.1 Github Downloads Release 7.0.0 Github Downloads Release 7.0.1

All Releases tags
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

  • Master

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

  • 7.0.1 Release

git clone -b hotfix/release-7-0-0 https://github.com/nwchemgit/nwchem.git nwchem-7.0.1

Release 7.0.1

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.0.1-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-srconly.2020-10-08.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-nonsrconly.2020-10-08.tar.bz2
Release notes available at
https://raw.githubusercontent.com/nwchemgit/nwchem/v7.0.1-release/release.notes.7.0.1

Documentation

https://nwchemgit.github.io