Code DocumentationΒΆ

calculators

A sub-package containing the force and energy calculators.

hamiltonians

A sub-package containing the hamiltonian API for method selection.

integrators

A sub-package to containing force integrators.

interfaces

A sub-package containing interfaces to external software.

potentials

A sub-package containing the potential API.

plugins

A sub-package for defining and dynamically loading plugins.

system

A sub-package for managing system data.

utils

A sub-package containing common classes, utilities, and constants.

wrappers

A sub-package containing classes for simulation and optimization.