SCBoxed< A, P > Class Template Reference

#include <interaction.hpp>

Inheritance diagram for SCBoxed< A, P >:

Public Member Functions
	SCBoxed (sptr< AtomVec > atomv, sptr< SCBox > box)
void	add (A atm)
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)
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...
vector< A > &	atom_list ()
Public Member Functions inherited from Interaction
virtual Matrix	stress (Box &box)
	The force-moment tensor for the current simulation: More...
virtual	~Interaction ()

Protected Attributes
sptr< SCBox >	box
sptr< AtomVec >	atoms
vector< A >	group

Constructor & Destructor Documentation

template<class A , class P >

SCBoxed< A, P >::SCBoxed ( sptr< AtomVec >  atomv, sptr< SCBox >  box  )

inline

Member Function Documentation

template<class A , class P >

void SCBoxed< A, P >::add ( A  atm )

inline

template<class A , class P >

vector<A>& SCBoxed< A, P >::atom_list ( )

inline

template<class A , class P >

flt SCBoxed< A, P >::energy ( Box &  box )

virtual

Potential energy due to this Interaction.

Implements Interaction.

template<class A , class P >

flt SCBoxed< A, P >::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.

template<class A , class P >

void SCBoxed< A, P >::set_forces ( Box &  box )

virtual

Implements Interaction.

template<class A , class P >

flt SCBoxed< A, P >::set_forces_get_pressure ( Box &  box )

virtual

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()).

Reimplemented from Interaction.

Member Data Documentation

template<class A , class P >

sptr<AtomVec> SCBoxed< A, P >::atoms

protected

template<class A , class P >

sptr<SCBox> SCBoxed< A, P >::box

protected

template<class A , class P >

vector<A> SCBoxed< A, P >::group

protected

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

• src/interaction.hpp