pydft_qmmm.calculators.composite_calculator

A calculator class that performs and collates sub-calculations.

This module contains the composite calculator class as well as a couple calculator plugin subclasses for the composite calculator.

Classes

CompositeCalculator(system, calculators)	A calculator that performs and collates sub-calculations.
CompositeCalculatorPlugin()	The plugin base class for modifying composite calculator routines.
PartitionPlugin()	The plugin base class for performing partitioning routines.