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xTB

  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
    • Development Team
    • History
    • Main SEAMM documentation
    • SEAMM Documentation
    • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
  • Development Team
  • History
  • Main SEAMM documentation
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter
  • Overview: module code

All modules for which code is available

  • xtb_step.energy
  • xtb_step.energy_parameters
  • xtb_step.energy_step
  • xtb_step.frequencies
  • xtb_step.frequencies_parameters
  • xtb_step.frequencies_step
  • xtb_step.optimization
  • xtb_step.optimization_parameters
  • xtb_step.optimization_step
  • xtb_step.substep
  • xtb_step.tk_energy
  • xtb_step.tk_frequencies
  • xtb_step.tk_optimization
  • xtb_step.tk_xtb
  • xtb_step.xtb
  • xtb_step.xtb_step

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