Custom external potential on molecules. More...

Inheritance diagram for Faunus::Energy::CustomExternal:

Collaboration diagram for Faunus::Energy::CustomExternal:

Public Member Functions
	CustomExternal (const json &, Space &)

void	to_json (json &) const override
	json output

Public Member Functions inherited from Faunus::Energy::ExternalPotential
	ExternalPotential (const json &j, const Space &spc)

double	energy (const Change &j) override
	energy due to change

Public Member Functions inherited from Faunus::Energy::EnergyTerm
virtual void	sync (EnergyTerm *other_energy, const Change &change)
	Sync (copy from) another energy instance. More...

virtual void	init ()
	reset and initialize

virtual void	updateState (const Change &change)
	Update internal state to reflect change in e.g. Space. More...

virtual void	force (PointVector &forces)
	update forces on all particles

Additional Inherited Members
Public Types inherited from Faunus::Energy::EnergyTerm
enum	MonteCarloState { ACCEPTED, TRIAL, NONE }

Public Attributes inherited from Faunus::Energy::EnergyTerm
MonteCarloState	state = MonteCarloState::NONE

std::string	name
	Meaningful name.

std::string	citation_information
	Possible reference; may be left empty.

TimeRelativeOfTotal< std::chrono::microseconds >	timer
	Timer for measuring speed.

Protected Attributes inherited from Faunus::Energy::ExternalPotential
const Space &	space
	reference to simulation space

std::function< double(const Particle &)>	externalPotentialFunc
	energy of single particle

Detailed Description

Custom external potential on molecules.

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

Public Member Functions