Gromacs  2023.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
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.
 

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