gmx::MDModulesEnergyOutputToQMMMRequestChecker Struct Reference

#include <gromacs/mdrunutility/mdmodulesnotifiers.h>

Description

Check if QMMM module outputs energy to a specific field.

Ensures that energy is output for QMMM module.

Public Attributes
bool	energyOutputToQMMM_ = false
	Trigger output to density fitting energy field.

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The documentation for this struct was generated from the following file:

• src/gromacs/mdrunutility/mdmodulesnotifiers.h