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Version 0.2.1

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@tiihonej tiihonej released this 28 May 12:16
  • Error surface optimization: Performance update and minor bug fixes
  • Plotting and printing updates for line-searches
  • Refactor examples and add README for documentation
    • Add Nexus examples: carbon dimer, carbon diamond
    • Add PySCF examples: benzene, H2O
  • Add Nexus job bundle feature and improved prompt
  • Minor tweaks and fixes