gmx::MDModulesEnergyOutputToNNPotRequestChecker Struct Reference

#include <gromacs/mdrunutility/mdmodulesnotifiers.h>

Description

Check if NNPot module outputs energy to a specific field.

Ensures that energy is output for NNPot module.

Public Attributes
bool	energyOutputToNNPot_ = false
	Trigger output to NNPot energy field.

---

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

• src/gromacs/mdrunutility/mdmodulesnotifiers.h