The keys of the intra map are group index and the values is a vector of BondData. More...

#include <energy.h>

Inheritance diagram for Faunus::Energy::Bonded:

Collaboration diagram for Faunus::Energy::Bonded:

Public Member Functions
	Bonded (const Space &spc, BondVector external_bonds)

	Bonded (const json &j, const Space &spc)

void	to_json (json &j) const override
	json output

double	energy (const Change &change) override
	brute force – refine this!

void	force (std::vector< Point > &forces) override
	Calculates the forces on all particles. More...

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

The keys of the intra map are group index and the values is a vector of BondData.

For bonds between groups, fill in inter which is evaluated for every update of call to energy.

Member Function Documentation

void Faunus::Energy::Bonded::force ( std::vector< Point > & forces )

override

Calculates the forces on all particles.

Parameters

forces Target force vector for all particles in the system

Each element in force represents the force on a particle and this updates (add) the bonded force.

Force unit: kT/Å

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