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NWChem: Open Source High-Performance Computational Chemistry http://nwchemgit.github.io
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Jeff Hammond 36c95e79c8 remove DEC OS/F support 
DEC OS/F is an obsolete Unix operating system
(https://en.wikipedia.org/wiki/Tru64_UNIX).
2018-08-10 10:44:41 -07:00
contrib remove DEC OS/F support 2018-08-10 10:44:41 -07:00
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examples HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
QA renamed files 2018-08-07 11:57:28 -07:00
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.gitignore debris created in nwchem compilations 2017-11-19 10:47:30 -08:00
.travis.yml osx: back to brew openblas 2017-12-18 19:16:58 -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 fixed link for ECL license 2018-07-20 11:09:41 -07:00
README.md lines for hotfix/release-6-8 [ci skip] 2017-12-18 18:28:27 -08:00
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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
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

README.md

Build Travis-CI Status License Github Downloads All Releases Github Downloads Release 6.8 All Releases tags

NWChem: Open Source High-Performance Computational Chemistry

NWChem logo

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