eljost/pysisyphus eljost/pysisyphus

  • Stars
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    88
  • Rank 374,391 (Top 8 %)
  • Language
    Python
  • License
    GNU General Publi...
  • Created over 7 years ago
  • Updated 5 months ago
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eljost/pysisyphus
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eljost

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Repository Details

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

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