NWChem/README.md

<!---[![Build Status](https://img.shields.io/endpoint.svg?url=https%3A%2F%2Factions-badge.atrox.dev%2Fnwchemgit%2Fnwchem%2Fbadge%3Fref%3Dmaster&style=flat)](https://actions-badge.atrox.dev/nwchemgit/nwchem/goto?ref=master)--->
[![NWChem_CI](https://img.shields.io/github/actions/workflow/status/nwchemgit/nwchem/github_actions.yml?style=plastic)](https://github.com/nwchemgit/nwchem/actions)   
<!---[![Build Travis-CI Status](https://img.shields.io/travis/nwchemgit/nwchem.svg)](https://travis-ci.org/nwchemgit/nwchem/builds)--->
[![License](https://img.shields.io/badge/license-ECL2-blue.svg)](https://raw.githubusercontent.com/nwchemgit/nwchem/master/LICENSE.md)  
![GitHub top language](https://img.shields.io/github/languages/top/nwchemgit/nwchem)
![Github Downloads All Releases](https://img.shields.io/github/downloads/nwchemgit/nwchem/total)   
![Homebrew Downloads](https://img.shields.io/homebrew/installs/dy/nwchem?label=Homebrew%20downloads)![Conda-Forge Downloads](https://img.shields.io/conda/dn/conda-forge/nwchem?label=Conda-forge%20downloads)![Docker Pulls](https://img.shields.io/docker/pulls/nwchemorg/nwchem-700.fedora.sockets?label=Docker%20pulls)    
![Github Downloads Release 6.8](https://img.shields.io/github/downloads/nwchemgit/nwchem/v6.8-release/total)
![Github Downloads Release 6.8.1](https://img.shields.io/github/downloads/nwchemgit/nwchem/6.8.1-release/total)  
![Github Downloads Release 7.0.0](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.0.0-release/total)
![Github Downloads Release 7.0.2](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.0.2-release/total)  
![Github Downloads Release 7.2.0](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.2.0-release/total)
![Github Downloads Release 7.2.1](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.2.1-release/total)  
![Github Downloads Release 7.2.2](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.2.2-release/total)
![Github Downloads Release 7.2.3](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.2.3-release/total)
![Github Downloads Release 7.3.0](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.3.0-release/total)
![Github Downloads Release 7.3.1](https://img.shields.io/github/downloads/nwchemgit/nwchem/v7.3.1-release/total)


[![All Releases tags](https://img.shields.io/github/release/nwchemgit/nwchem/all.svg)](https://github.com/nwchemgit/nwchem/releases)
![GitHub Release Date](https://img.shields.io/github/release-date/nwchemgit/nwchem)  
[![EMSL](https://raw.githubusercontent.com/nwchemgit/nwchem/179015c5af4f2b1b397a7f039b85a9aa202f4139/contrib/git.nwchem/emsl_logo2.svg)](https://www.emsl.pnl.gov)
 
## NWChem: Open Source High-Performance Computational Chemistry
<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"/>  
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 for developers

* Master
```
git clone https://github.com/nwchemgit/nwchem.git
```
* 7.3.1 Release
```
git clone  -b hotfix/release-7-3-0 https://github.com/nwchemgit/nwchem.git nwchem-7.3.1
```
### Release 7.3.1

Release files available at the page  
https://github.com/nwchemgit/nwchem/releases/tag/v7.3.0-release    
Tar files for download:  
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-srconly.2025-11-06.tar.bz2  
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-nonsrconly.2025-11-06.tar.bz2  
Release notes available at  
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.3.1.md  

### Documentation
https://nwchemgit.github.io