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NWChem: Open Source High-Performance Computational Chemistry3个月前31480次提交
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NWChem_CI

License
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Github Downloads Release 6.8 Github Downloads Release 6.8.1
Github Downloads Release 7.0.0 Github Downloads Release 7.0.2
Github Downloads Release 7.2.0 Github Downloads Release 7.2.1
Github Downloads Release 7.2.2 Github Downloads Release 7.2.3

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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 for developers

  • Master
    git clone https://github.com/nwchemgit/nwchem.git
  • 7.2.3 Release
    git clone  -b hotfix/release-7-2-0 https://github.com/nwchemgit/nwchem.git nwchem-7.2.3

    Release 7.2.3

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.2.3-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-srconly.2024-08-27.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-nonsrconly.2024-08-27.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.3.md

Documentation

https://nwchemgit.github.io

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可扩展的计算化学工具

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