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Overview:

  • General Workflow
  • Parameter-search Grid
  • Interaction Parameters
  • Systems and Topologies
  • Coordinates
  • Protocols
  • Properties
  • Surrogate Model
  • Score
  • Grid Shifting

Program Usage:

  • Command-line
  • Customization API
  • Input File
  • Output Files
  • Post-processing
  • Restarting a run
  • Validation mode

Example Applications:

  • Tutorial
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