All energies inherit from this class. More...

Inheritance diagram for Faunus::Energy::EnergyTerm:

Collaboration diagram for Faunus::Energy::EnergyTerm:

Public Types
enum	MonteCarloState { ACCEPTED, TRIAL, NONE }

Public Member Functions
virtual double	energy (const Change &change)=0
	energy due to change

virtual void	to_json (json &j) const
	json output

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

Public Attributes
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.

Detailed Description

All energies inherit from this class.

Member Function Documentation

void Faunus::Energy::EnergyTerm::sync	(	EnergyTerm *	other_energy,
		const Change &	change
	)

virtual

Sync (copy from) another energy instance.

Parameters

other_energy	Other energy instance to copy data from
change	Describes the difference with the other energy term

void Faunus::Energy::EnergyTerm::updateState ( const Change & change )

virtual

Update internal state to reflect change in e.g. Space.

This should be called whenever the Space is modified (particles, volume, etc) as some energy terms may depend on this.

One example is Ewald summation that needs to update k-vectors before calculating the energy.

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