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  • Overview: module code

All modules for which code is available

  • scine_chemoton.engine
  • scine_chemoton.gears
    • scine_chemoton.gears.compound
    • scine_chemoton.gears.conformers.brute_force
    • scine_chemoton.gears.elementary_steps
      • scine_chemoton.gears.elementary_steps.brute_force
      • scine_chemoton.gears.elementary_steps.compound_filters
      • scine_chemoton.gears.elementary_steps.minimal
      • scine_chemoton.gears.elementary_steps.reactive_site_filters
      • scine_chemoton.gears.elementary_steps.trial_generator
        • scine_chemoton.gears.elementary_steps.trial_generator.bond_based
        • scine_chemoton.gears.elementary_steps.trial_generator.connectivity_analyzer
        • scine_chemoton.gears.elementary_steps.trial_generator.fragment_based
    • scine_chemoton.gears.kinetics
    • scine_chemoton.gears.reaction
    • scine_chemoton.gears.refinement
    • scine_chemoton.gears.scheduler
    • scine_chemoton.gears.thermo
  • scine_chemoton.utilities.insert_initial_structure
  • scine_chemoton.utilities.masm
  • scine_chemoton.utilities.queries
  • scine_chemoton.utilities.reactive_complexes
    • scine_chemoton.utilities.reactive_complexes.inter_reactive_complexes
    • scine_chemoton.utilities.reactive_complexes.lebedev_sphere
    • scine_chemoton.utilities.reactive_complexes.unit_circle

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