https://github.com/dftbplus/skpar

https://github.com/dftbplus/skpar

Last synced: 3 months ago
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• Host: GitHub
• URL: https://github.com/dftbplus/skpar
• Owner: dftbplus
• License: other
• Created: 2017-09-15T01:20:57.000Z (over 8 years ago)
• Default Branch: main
• Last Pushed: 2023-03-29T06:59:18.000Z (about 3 years ago)
• Last Synced: 2025-10-29T18:20:48.189Z (8 months ago)
• Language: Python
• Size: 3.82 MB
• Stars: 10
• Watchers: 6
• Forks: 9
• Open Issues: 3
• Metadata Files:
  • Readme: README.txt
  • License: LICENSE.txt

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README

          
SKPAR is a software tool intended to automate the optimisation of 

parameters for the Density Functional Tight Binding (DFTB) theory

as implemented in dftb+ (BCCMS Bremen), lodestar (The University 

of Hong Kong) and other computer codes. SKPAR was formerly SKOPT.

Documentation: http://skpar.readthedocs.io

SKPAR is under MIT licence.