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NWChem: Open Source High-Performance Computational Chemistry

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

License: Other

Shell 0.22% Batchfile 0.01% Perl 0.06% Scilab 3.08% GLSL 0.20% Visual Basic 0.01% Fortran 93.52% Python 0.37% TeX 0.13% HTML 0.27% Java 0.21% Makefile 0.35% Awk 0.01% M 0.01% C 1.19% Roff 0.18% LiveScript 0.01% C++ 0.21% M4 0.01% OpenEdge ABL 0.01%

nwchem's Introduction

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

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

  • 6.8.1 Release

git clone -b hotfix/release-6-8 https://github.com/nwchemgit/nwchem.git nwchem-6.8.1

Release 6.8.1

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/6.8.1-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-6.8.1-release.revision-v6.8-133-ge032219-srconly.2018-06-14.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-6.8.1-release.revision-v6.8-133-ge032219-nonsrconly.2018-06-14.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/raw/hotfix/release-6-8/release.notes.6.8

Documentation

https://github.com/nwchemgit/nwchem/wiki

nwchem's People

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