Charges Class Reference

#include <interaction.hpp>

Inheritance diagram for Charges:

Public Member Functions
	Charges (flt screenlength, flt k=1, vector< Charged > atms=vector< Charged >())
void	add (Charged a)
void	add (AtomID a, flt q)
void	ignore (AtomID a, AtomID b)
void	ignore (Atom *a, Atom *b)
uint	ignore_size () const
uint	size () const
flt	energy (Box &box)
	Potential energy due to this Interaction. More...
flt	pressure (Box &box)
	Partial pressure due to this Interaction. More...
void	set_forces (Box &box)
Public Member Functions inherited from Interaction
virtual flt	set_forces_get_pressure (Box &box)
	Set forces (Atom.f) and return \(P = \sum_{\left<i,j \right>} \vec r_{ij} \cdot \vec F_{ij}\) at the same time (see pressure()). More...
virtual Matrix	stress (Box &box)
	The force-moment tensor for the current simulation: More...
virtual	~Interaction ()

Protected Member Functions
AtomID	get_id (Atom *a)

Protected Attributes
vector< Charged >	atoms
PairList	ignorepairs
flt	screen
flt	k

Constructor & Destructor Documentation

Charges::Charges	(	flt	screenlength,
		flt	k = 1,
		vector< Charged >	atms = vector<Charged>()
	)

Member Function Documentation

void Charges::add ( Charged  a )

inline

void Charges::add ( AtomID  a, flt  q  )

inline

flt Charges::energy ( Box &  box )

virtual

Potential energy due to this Interaction.

Implements Interaction.

AtomID Charges::get_id ( Atom *  a )

protected

void Charges::ignore ( AtomID  a, AtomID  b  )

inline

void Charges::ignore ( Atom *  a, Atom *  b  )

inline

uint Charges::ignore_size ( ) const

inline

flt Charges::pressure ( Box &  box )

virtual

Partial pressure due to this Interaction.

\(P = \sum_{\left<i,j \right>} \vec r_{ij} \cdot \vec F_{ij}\), or equivalently \(P = \sum_i \vec r_i \cdot \vec F_i\)

Note that the full pressure involves all interactions and temperature, and needs to be normalized by \( \frac{1}{dV} \) where \(d\) is the number of dimensions and \(V\) is the volume.

Implements Interaction.

void Charges::set_forces ( Box &  box )

virtual

Implements Interaction.

uint Charges::size ( ) const

inline

Member Data Documentation

vector<Charged> Charges::atoms

protected

PairList Charges::ignorepairs

protected

flt Charges::k

protected

flt Charges::screen

protected

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

• src/interaction.hpp
• src/interaction.cpp