restraintpotential.h File Reference

#include <functional>
#include <memory>
#include <ostream>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"

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Description

Declare generic interface for restraint implementations.

Classes
class	gmx::PotentialPointData
	Structure to hold the results of IRestraintPotential::evaluate(). More...
class	gmx::IRestraintPotential
	Interface for Restraint potentials. More...

Typedefs
using	gmx::Vector = ::gmx::RVec
	Provide a vector type name with a more stable interface than RVec and a more stable implementation than vec3<>.