FixedForce Class Reference

#include <interaction.hpp>

Inheritance diagram for FixedForce:

Public Member Functions
	FixedForce (vector< FixedForceAtom > atoms=vector< FixedForceAtom >())
void	add (FixedForceAtom a)
void	add (Vec F, AtomID a)
void	add (flt x, flt y, flt z, AtomID a)
uint	size () const
flt	energy (Box &box)
	Potential energy due to this Interaction. More...
void	set_forces (Box &box)
flt	pressure (Box &box)
	Partial pressure due to this Interaction. More...
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 Attributes
vector< FixedForceAtom >	atoms

Constructor & Destructor Documentation

FixedForce::FixedForce ( vector< FixedForceAtom >  atoms = vector<FixedForceAtom>() )

inline

Member Function Documentation

void FixedForce::add ( FixedForceAtom  a )

inline

void FixedForce::add ( Vec  F, AtomID  a  )

inline

void FixedForce::add ( flt  x, flt  y, flt  z, AtomID  a  )

inline

flt FixedForce::energy ( Box &  box )

inlinevirtual

Potential energy due to this Interaction.

Implements Interaction.

flt FixedForce::pressure ( Box &  box )

inlinevirtual

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 FixedForce::set_forces ( Box &  box )

inlinevirtual

Implements Interaction.

uint FixedForce::size ( ) const

inline

Member Data Documentation

vector<FixedForceAtom> FixedForce::atoms

protected

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

• src/interaction.hpp