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QA/ | H | 13-Oct-2020 | - | 13,736,114 | 11,562,777 | |
contrib/ | H | 13-Oct-2020 | - | 181,819 | 165,660 | |
doc/ | H | 13-Oct-2020 | - | 42,251 | 35,853 | |
examples/ | H | 13-Oct-2020 | - | 256,422 | 254,753 | |
src/ | H | 13-Oct-2020 | - | 9,245,977 | 8,064,956 | |
travis/ | H | 13-Oct-2020 | - | 316 | 285 | |
web/ | H | 03-May-2022 | - | 10,277 | 8,846 | |
.gitignore | H A D | 13-Oct-2020 | 1.3 KiB | 108 | 84 | |
.gitlab-ci.yml | H A D | 13-Oct-2020 | 7.7 KiB | 254 | 232 | |
.travis.yml | H A D | 13-Oct-2020 | 4.6 KiB | 168 | 156 | |
INSTALL | H A D | 13-Oct-2020 | 28.9 KiB | 732 | 562 | |
INSTALL.binbuilds | H A D | 13-Oct-2020 | 2.1 KiB | 50 | 39 | |
README.md | H A D | 13-Oct-2020 | 2.7 KiB | 46 | 29 | |
release.notes.3.2.1 | H A D | 13-Oct-2020 | 16.5 KiB | 435 | 364 | |
release.notes.3.3 | H A D | 13-Oct-2020 | 14.1 KiB | 314 | 266 | |
release.notes.4.0 | H A D | 13-Oct-2020 | 12.1 KiB | 288 | 236 | |
release.notes.4.1 | H A D | 13-Oct-2020 | 12.4 KiB | 307 | 236 | |
release.notes.4.5 | H A D | 13-Oct-2020 | 9.2 KiB | 246 | 191 | |
release.notes.4.6 | H A D | 13-Oct-2020 | 6.9 KiB | 190 | 152 | |
release.notes.4.7 | H A D | 13-Oct-2020 | 4.7 KiB | 106 | 83 | |
release.notes.5.0 | H A D | 13-Oct-2020 | 3.5 KiB | 75 | 63 | |
release.notes.5.1 | H A D | 13-Oct-2020 | 2.4 KiB | 60 | 50 | |
release.notes.5.1.1 | H A D | 13-Oct-2020 | 1.8 KiB | 43 | 33 | |
release.notes.6.0 | H A D | 13-Oct-2020 | 1.8 KiB | 43 | 34 | |
release.notes.6.1 | H A D | 13-Oct-2020 | 4 KiB | 110 | 88 | |
release.notes.6.8 | H A D | 13-Oct-2020 | 2.9 KiB | 85 | 61 | |
release.notes.6.8.1 | H A D | 13-Oct-2020 | 895 | 34 | 18 | |
release.notes.7.0.0 | H A D | 13-Oct-2020 | 1.9 KiB | 69 | 39 | |
release.notes.7.0.1 | H A D | 13-Oct-2020 | 1.1 KiB | 41 | 20 | |
release.notes.7.0.2 | H A D | 13-Oct-2020 | 1.1 KiB | 42 | 21 |
README.md
1 2 3 4 5[![Build Travis-CI Status](https://img.shields.io/travis/nwchemgit/nwchem.svg)](https://travis-ci.org/nwchemgit/nwchem/builds) 6[![License](https://img.shields.io/badge/license-ECL2-blue.svg)](https://raw.githubusercontent.com/nwchemgit/nwchem/master/LICENSE.md) 7[![Github Downloads All Releases](https://img.shields.io/github/downloads/nwchemgit/nwchem/total.svg)](https://github.com/nwchemgit/nwchem/releases) 8[![Github Downloads Release 6.8](https://img.shields.io/github/downloads/nwchemgit/nwchem/v6.8-release/total.svg)](https://github.com/nwchemgit/nwchem/releases/tag/v6.8-release) 9[![Github Downloads Release 6.8.1](https://img.shields.io/github/downloads/nwchemgit/nwchem/6.8.1-release/total.svg)](https://github.com/nwchemgit/nwchem/releases/tag/6.8.1-release) 10[![Github Downloads Release 7.0.0](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.0.0-release/total.svg)](https://github.com/nwchemgit/nwchem/releases/tag/v7.0.0-release) 11[![Github Downloads Release 7.0.1](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.0.1-release/total.svg)](https://github.com/nwchemgit/nwchem/releases/tag/v7.0.1-release) 12 13 14[![All Releases tags](https://img.shields.io/github/release/nwchemgit/nwchem/all.svg)](https://github.com/nwchemgit/nwchem/releases) 15[![EMSL](https://rawgit.com/nwchemgit/nwchem/master/contrib/git.nwchem/emsl_logo2.svg)](https://www.emsl.pnl.gov) 16 17## NWChem: Open Source High-Performance Computational Chemistry 18<img alt="NWChem logo" src="https://raw.githubusercontent.com/nwchemgit/nwchem/master/contrib/git.nwchem/MS3_logo_cropped.png" align=middle width="102pt" height="117pt"/> 19NWChem 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 20located at the Pacific Northwest National Laboratory (PNNL) in Washington State 21 22### Scalable computational chemistry tools 23 24Source download instructions 25 26* Master 27 28git clone https://github.com/nwchemgit/nwchem.git 29 30* 7.0.1 Release 31 32git clone -b hotfix/release-7-0-0 https://github.com/nwchemgit/nwchem.git nwchem-7.0.1 33 34### Release 7.0.1 35 36Release files available at the page 37https://github.com/nwchemgit/nwchem/releases/tag/v7.0.1-release 38Tar files for download: 39https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-srconly.2020-10-08.tar.bz2 40https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-nonsrconly.2020-10-08.tar.bz2 41Release notes available at 42https://raw.githubusercontent.com/nwchemgit/nwchem/v7.0.1-release/release.notes.7.0.1 43 44### Documentation 45https://nwchemgit.github.io 46