narupatools.imd

Module for code relating to interactive molecular dynamics.

Modules

narupatools.imd.dynamics	Base class for simulations that support IMD.
narupatools.imd.feature	Base manager for handling interactions.
narupatools.imd.feature_setclear	IMD manager for use with LAMMPS/OpenMM.
narupatools.imd.forces	Code for calculating IMD forces.
narupatools.imd.interaction	Base implementation of an interaction.
narupatools.imd.interaction_source	Protocol for an interactions source.
narupatools.imd.interactions	Shorthand methods for creating various IMD interactions.