gmx::LinkFrontier Struct Reference

#include <gromacs/applied_forces/qmmm/qmmmtypes.h>

Description

Helper structure with indexes of broken bonds between QM and MM Used to determine and store pair of QM and MM atoms between which chemical bond is broken.

Public Attributes
Index	qm
	Global index of QM atom at Frontier.
Index	mm
	Global index of MM atom at Frontier.

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

• src/gromacs/applied_forces/qmmm/qmmmtypes.h