Gromacs
2024.3
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#include <gromacs/mdrunutility/mdmodulesnotifiers.h>
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) | |