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ASSYST documentation
ASSYST documentation

Contents:

  • Home
  • Installation
  • Background
  • Specifying Compositions
  • Filtering Structures
  • Notebooks
    • Crystal Generation
    • A Complete Workflow for a Single Element
    • Fitting a Linear ACE Potential
    • Relaxation Settings
    • Perturbations
    • Plot Gallery
    • UUIDs and Lineage Tracking

Developer Notes:

  • Metadata
    • Lineage Tracking
  • Custom Relaxers

API Reference:

  • assyst
    • assyst.crystals
    • assyst.relaxations
    • assyst.perturbations
    • assyst.filters
    • assyst.calculators
    • assyst.plot
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assystΒΆ

  • assyst.crystals
  • assyst.relaxations
  • assyst.perturbations
  • assyst.filters
  • assyst.calculators
  • assyst.plot
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Custom Relaxers
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