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SystemMomentum Struct Reference

#include <gromacs/mdtypes/group.h>

+ Collaboration diagram for SystemMomentum:


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.

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