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ChemFit documentation
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ChemFit documentation
  • Installation
  • Concepts
  • Writing Quantity Computers
  • Fitter
  • Parallel Execution
  • ASE-Based Quantity Computers
  • File-Based Quantity Computers
  • Combined Objective Functions
  • Running with MPI
  • Asynchronous Objective Evaluation
  • Example: Fitting a dimer binding curve with the SCME Code
  • Development
  • chemfit
    • chemfit package
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