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List of all members | Public Attributes
gmx::MDModulesEnergyOutputToQMMMRequestChecker Struct Reference

#include <gromacs/mdrunutility/mdmodulesnotifiers.h>


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.

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