File: README.md

package info (click to toggle)
nwchem 7.0.2-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye, sid
  • size: 1,134,820 kB
  • sloc: fortran: 4,903,090; ansic: 67,501; f90: 19,555; python: 17,912; java: 12,311; sh: 12,023; cpp: 9,896; perl: 6,123; csh: 4,345; makefile: 1,856; sed: 246; awk: 115; exp: 111; pascal: 76
file content (45 lines) | stat: -rw-r--r-- 2,718 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
 



[![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 Downloads All Releases](https://img.shields.io/github/downloads/nwchemgit/nwchem/total.svg)](https://github.com/nwchemgit/nwchem/releases)
[![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)
[![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)
[![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)
[![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)


[![All Releases tags](https://img.shields.io/github/release/nwchemgit/nwchem/all.svg)](https://github.com/nwchemgit/nwchem/releases)  
[![EMSL](https://rawgit.com/nwchemgit/nwchem/master/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

* Master

git clone https://github.com/nwchemgit/nwchem.git

* 7.0.1 Release

git clone  -b hotfix/release-7-0-0 https://github.com/nwchemgit/nwchem.git nwchem-7.0.1

### Release 7.0.1

Release files available at the page  
https://github.com/nwchemgit/nwchem/releases/tag/v7.0.1-release  
Tar files for download:  
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-srconly.2020-10-08.tar.bz2  
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-nonsrconly.2020-10-08.tar.bz2  
Release notes available at  
https://raw.githubusercontent.com/nwchemgit/nwchem/v7.0.1-release/release.notes.7.0.1

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