emmet.core.openmm.tasks

Schemas for OpenMM tasks.

Classes

Calculation	All input and output data for an OpenMM calculation.
CalculationInput	OpenMM input settings for a job, these are the attributes of the OpenMMMaker.
CalculationOutput	OpenMM calculation output files and extracted data.
OpenMMTaskDocument	Definition of the OpenMM task document.
TYPE_CHECKING	bool(x) -> bool