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NWChem: Open Source High-Performance Computational Chemistry http://nwchemgit.github.io
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Edoardo Aprà ff1716a899
fixed link for ECL license
2018-07-20 11:32:22 -07:00
contrib added example trajectory 2016-02-05 21:17:00 +00:00
doc subroutines to generate WFN/WFX files from Alvaro Vazquez-Mayagoitia https://sites.google.com/site/alvarovazquezmayagoitia/goals/codes/nwchem-notes/generator-of-aim-wavefunction-files-nwchem 2013-08-02 18:06:50 +00:00
examples HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
QA might want to have compatible input and output files 2015-10-20 20:48:26 +00:00
src fixed link for ECL license 2018-07-20 11:32:22 -07:00
web HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
.gitignore gitignore same as master 2017-11-19 10:41:38 -08:00
INSTALL introduced env. variable USE_NOFSCHECK that causes the 2012-01-18 01:12:41 +00:00
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 11:31:06 -07:00
README.md Update README.md 2017-11-19 09:54:04 -08:00
release.notes.3.2.1 log cleanup 2017-11-19 10:01:12 -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

README.md

NWChem: Open Source High-Performance Computational Chemistry

Scalable computational chemistry tools

Source download instructions

6.6 Release

git clone -b release-6-6 https://github.com/nwchemgit/nwchem.git nwchem-6.6