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NWChem: Open Source High-Performance Computational Chemistry http://nwchemgit.github.io
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fix for bsse basis on bqs https://github.com/nwchemgit/nwchem/issues/611
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contrib update to nwgeom.py to fix NoneType error. 2020-07-01 11:21:42 -07:00
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src fix for bsse basis on bqs https://github.com/nwchemgit/nwchem/issues/611 2022-05-05 17:31:48 -07:00
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web remove DEC OS/F support 2018-08-10 10:44:41 -07:00
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.travis.yml smaller build for simint 2019-10-18 15:01:30 -07:00
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LICENSE.TXT 702 release [ci skip] 2020-10-12 21:15:08 -07:00
README.md documentation [ci skip] 2020-10-08 16:29:39 -07:00
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release.notes.3.3 Added 3.3.1 release notes. 1999-09-29 22:20:36 +00:00
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release.notes.4.5 fixed typo 2003-05-06 23:15:19 +00:00
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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 09:29:39 -07:00
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README.md

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