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  • DESCENT 0.6.1.dev10+ga8229506d documentation
  • Target Functions
  • descent.targets
descent.targets
descent

DESCENT 0.6.1.dev10+ga8229506d documentation

descent

Getting Started

  • Installation
  • Examples
  • CODE OF CONDUCT
  • Release History

User Guide

  • Training Force Fields
  • Target Functions
  • Optimization

API Reference

  • Training Module
  • Target Functions
    • descent.targets
    • descent.targets.energy
    • descent.targets.thermo
    • descent.targets.dimers
  • Optimization Module
  • Utilities

descent.targets

Targets to train / assess models to / against.

Modules

descent.targets.dimers

Train against dimer energies.

descent.targets.energy

Train against relative energies and forces.

descent.targets.thermo

Train against thermodynamic properties.

Target Functions
descent.targets.dimers
© Copyright 2024, Simon Boothroyd.
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