Pressure term for NPT ensemble. More...

#include <energy.h>

Inheritance diagram for Faunus::Energy::Isobaric:

Collaboration diagram for Faunus::Energy::Isobaric:

Public Member Functions
	Isobaric (const json &j, const Space &spc)

double	energy (const Change &change) override
	Calculates the energy contribution p × V / kT - (N + 1) × ln(V) More...

void	to_json (json &j) const override
	json output

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.

Detailed Description

Pressure term for NPT ensemble.

Member Function Documentation

double Faunus::Energy::Isobaric::energy ( const Change & change )

overridevirtual

Calculates the energy contribution p × V / kT - (N + 1) × ln(V)

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