pydft_qmmm.plugins

A sub-package for defining and dynamically loading plugins.

Modules

atom_partition	A sub-package for performing atom-by-atom system partitioning.
center	A sub-package for centering coordinates in a system.
centroid_partition	A sub-package for performing group-based centroid system partitioning.
firstatom_partition	A sub-package for performing group-based first-atom system partitioning.
plugin_manager	Functionality for importing third-party plugins.
plumed	A sub-package for performing enhanced sampling with Plumed.
rigid	A sub-package for performing rigid body simulations.
settle	A sub-package for using SETTLE constraints during integration.
wrap	A sub-package for wrapping coordinates in systems with PBC.