API reference

This section gives an overview of the API for torch_sim.

autobatching	Automatic batching and GPU memory management.
elastic	Calculation of elastic properties of crystals.
io	Input/output utilities for atomistic systems.
math	Mathematical operations and utilities.
models	Models for TorchSim.
monte_carlo	Propagators for Monte Carlo simulations.
neighbors	Utilities for neighbor list calculations.
optimizers	Optimizers for geometry relaxations.
quantities	Functions for computing physical quantities.
runners	High level runners for atomistic simulations.
state	The core state representation.
trajectory	Trajectory format and reporting.
transforms	Coordinate transformations and periodic boundary conditions.
units	Unit systems and conversions.