Contents Menu Expand Light mode Dark mode Auto light/dark, in light mode Auto light/dark, in dark mode Skip to content
torch-pme 0.2.0 documentation
Light Logo Dark Logo
  • What is torch-pme
  • Installation
  • Basic Usage
  • Examples
    • Computations with Multiple Charge Channels
    • Advanced neighbor list usage
    • Examples of the MeshInterpolator class
    • Examples of the KSpaceFilter class
    • Custom models with automatic differentiation
    • Splined potentials
    • Computing LODE descriptors
    • Optimizing a linear combination of potentials
    • Atomistic model for molecular dynamics
    • A comparison between calculators
    • Parameter tuning for range-separated models
    • 4-site water models
    • Basic Usage
  • API reference
    • Potentials
      • CombinedPotential
      • CoulombPotential
      • InversePowerLawPotential
      • Potential
      • SplinePotential
    • Calculators
      • Calculator
      • EwaldCalculator
      • P3MCalculator
      • PMECalculator
    • Tuning
      • Base Classes
      • Tune Ewald
      • Tune P3M
      • Tune PME
    • Prefactors
    • Metatensor Bindings
    • Library Functions
      • Kspace filter
      • Kvectors
      • Math
      • Mesh Interpolator
      • Splines
    • Changelog
  • Contributing
Back to top
View this page

API referenceΒΆ

Note

This is the documentation for version 0.2.0. For other versions, we refer to the following pages:

Version 0.1
0.1.0
https://lab-cosmo.github.io/torch-pme/v0.1.0/references/index.html
Version 0.2
0.2.0
https://lab-cosmo.github.io/torch-pme/v0.2.0/references/index.html

The main references for public functions and classes inside torch-pme. For examples refer to the Examples section.

  • Potentials
  • Calculators
  • Tuning
  • Prefactors
  • Metatensor Bindings
  • Library Functions
  • Changelog
Next
Potentials
Previous
4-site water models
Copyright © 2025, torch-pme developers
Made with Sphinx and @pradyunsg's Furo