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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)
 

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