forceoutput.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"

Include dependency graph for forceoutput.h:

Description

This file contains the definition of a container for force and virial output.

Currently the only container defined here is one used in algorithms that provide their own virial tensor contribution. We can consider adding another containter for forces and shift forces.

Author

Berk Hess

Classes
class	gmx::ForceWithVirial
	Container for force and virial for algorithms that provide their own virial tensor contribution. More...