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NWChem: Open Source High-Performance Computational Chemistry

Home Page: http://www.nwchem-sw.org

License: Other

Shell 0.20% Batchfile 0.01% Perl 0.06% Scilab 3.15% q 0.01% GLSL 0.20% Visual Basic 0.01% Fortran 93.09% Python 0.38% TeX 0.13% HTML 0.81% Java 0.22% Makefile 0.36% Awk 0.01% M 0.01% C 1.22% Roff 0.06% LiveScript 0.01% C++ 0.10% M4 0.01%

nwchem's Introduction

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

  • 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

nwchem's People

Contributors

ajaypanyala avatar arthurpsmith avatar bernhold avatar carlfahl avatar dsmithintel avatar ebylaska avatar edoapra avatar ehermes avatar faquino02139 avatar glazermann avatar hjjvandam avatar jautschbach avatar jgarzaolguin avatar karolk66 avatar logsdail avatar mdupuis2 avatar milesdeegan avatar mjacquel avatar mjw99 avatar ngovind avatar nwchemgit avatar robertjharrison avatar rxk900 avatar sriramkmoorthy avatar straatsma avatar twindus avatar voglab avatar wadejong avatar yurialexeev avatar zyzhang1992 avatar

Watchers

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