gmx::QMInputFileName Struct Reference

#include <gromacs/mdrunutility/mdmodulesnotifiers.h>

Description

Notification for QM program input filename provided by user as command-line argument for grompp.

Public Attributes
bool	hasQMInputFileName_ = false
	Flag if QM Input File has been provided by user.
std::string	qmInputFileName_
	The name of the QM Input file (.inp)

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

• src/gromacs/mdrunutility/mdmodulesnotifiers.h