ForceProviders Struct Reference

#include <gromacs/mdtypes/iforceprovider.h>

Description

Evaluates forces from a collection of gmx::IForceProvider.

This class is a struct outside the gmx namespace to make it possible to forward-declare it in forcerec.h, which still needs to compile when included from the C group kernels.

Public Member Functions
void	addForceProvider (gmx::IForceProvider *provider)
	Adds a provider.
bool	hasForceProvider () const
	Whether there are modules added.
void	calculateForces (const t_commrec *cr, const t_mdatoms *mdatoms, const matrix box, double t, const rvec *x, gmx::ForceWithVirial *forceWithVirial) const
	Computes forces.

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

• src/gromacs/mdtypes/iforceprovider.h
• src/gromacs/mdtypes/iforceprovider.cpp