https://github.com/jageo/tutorialatomate2forcefields

Tutorial to learn basic features of atomate2
https://github.com/jageo/tutorialatomate2forcefields

Last synced: about 1 month ago
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Tutorial to learn basic features of atomate2

• Host: GitHub
• URL: https://github.com/jageo/tutorialatomate2forcefields
• Owner: JaGeo
• License: bsd-3-clause
• Created: 2023-10-20T17:56:26.000Z (about 1 year ago)
• Default Branch: main
• Last Pushed: 2024-09-17T08:37:30.000Z (2 months ago)
• Last Synced: 2024-09-17T10:50:05.105Z (2 months ago)
• Language: Jupyter Notebook
• Homepage: https://jageo.github.io/TutorialAtomate2Forcefields/
• Size: 8.1 MB
• Stars: 11
• Watchers: 1
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# TutorialAtomate2Forcefields

Tutorial to play around with atomate2 and universal ML potentias