SystemMomentum Struct Reference

#include <gromacs/mdtypes/group.h>

Collaboration diagram for SystemMomentum:

Description

The momentum and mass of the whole system.

Note that the momentum and mass are stored consecutively in this struct to enable passing a double pointer for global reduction.

Public Member Functions
void	clear ()
	Clears the momentum and mass.
double *	bufferPtr ()
	Returns a pointer of a list of numDoubles() doubles covering all data in this struct.

Static Public Member Functions
static constexpr int	numDoubles ()
	Returns the number of doubles contained in this struct.

Public Attributes
gmx::DVec	momentum = { 0.0, 0.0, 0.0 }
	The system momentum.
double	mass = 0.0
	The system mass.

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

• src/gromacs/mdtypes/group.h