narupatools.openmm

Classes and methods for interfacing with the OpenMM package.

Modules

narupatools.openmm.converter	Conversion functions between OpenMM objects and Narupa objects.
narupatools.openmm.dynamics	Simulation dynamics implementation using OpenMM.
narupatools.openmm.integrators	Custom integrators for use with OpenMM.
narupatools.openmm.serializer	More performant serialization and deserialization of OpenMM simulations.
narupatools.openmm.units	Unit conversions for OpenMM.