Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential > Class Template Reference

Provides a fast inlineable interface for non-bonded pair potential energy computation. More...

#include <energy.h>

Public Member Functions
	PairEnergy (Space &spc, BasePointerVector< EnergyTerm > &potentials)
template<typename T >
double	potential (const T &a, const T &b) const
	Computes pair potential energy. More...
template<typename ParticleType >
Point	force (const ParticleType &a, const ParticleType &b) const
template<typename... Args>
auto	operator() (Args &&... args)
	A functor alias for potential(). More...
void	addPairPotentialSelfEnergy ()
	Registers the potential self-energy to hamiltonian if needed. More...
void	from_json (const json &j)
void	to_json (json &j) const

Detailed Description

template<pairpotential::RequirePairPotential TPairPotential, bool allow_anisotropic_pair_potential = true>
class Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential >

Provides a fast inlineable interface for non-bonded pair potential energy computation.

Template Parameters

TPairPotential	a pair potential to compute with
allow_anisotropic_pair_potential	pass also a distance vector to the pair potential, slower

Constructor & Destructor Documentation

PairEnergy()

template<pairpotential::RequirePairPotential TPairPotential, bool allow_anisotropic_pair_potential = true>

Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential >::PairEnergy ( Space &  spc, BasePointerVector< EnergyTerm > &  potentials  )

inline

Parameters

spc
potentials	registered non-bonded potentials

Member Function Documentation

addPairPotentialSelfEnergy()

template<pairpotential::RequirePairPotential TPairPotential, bool allow_anisotropic_pair_potential = true>

void Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential >::addPairPotentialSelfEnergy ( )

inline

Registers the potential self-energy to hamiltonian if needed.

See also

Hamiltonian::Hamiltonian

operator()()

template<pairpotential::RequirePairPotential TPairPotential, bool allow_anisotropic_pair_potential = true>

template<typename... Args>

auto Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential >::operator() ( Args &&...  args )

inline

A functor alias for potential().

See also

potential()

potential()

template<pairpotential::RequirePairPotential TPairPotential, bool allow_anisotropic_pair_potential = true>

template<typename T >

double Faunus::Energy::PairEnergy< TPairPotential, allow_anisotropic_pair_potential >::potential ( const T &  a, const T &  b  ) const

inline

Computes pair potential energy.

Parameters

a	particle
b	particle

Returns

pair potential energy between particles a and b

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

• src/energy.h