SCSpringList Class Reference

#include <interaction.hpp>

Inheritance diagram for SCSpringList:

Public Member Functions
	SCSpringList (SCAtomVec *scs, flt eps, flt sig, flt l)
	Create an SCSpringList based on scs, using an epsilon of eps, a diameter of sigma, and a "length" of l, where l is cap center-to-cap center distance. More...
	SCSpringList (SCAtomVec *scs, flt eps, flt sig, vector< flt > ls)
flt	energy (Box &box)
	Potential energy 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...
flt	pressure (Box &box)
	Partial pressure due to this Interaction. More...
Matrix	set_forces_get_stress (Box &box)
Matrix	stress (Box &box)
	The force-moment tensor for the current simulation: More...
void	ignore (uint n1, uint n2)
flt	volume ()
flt	phi (Box &box)
void	ignore (AtomID a1, AtomID a2)
	~SCSpringList ()
Public Member Functions inherited from Interaction
virtual	~Interaction ()

Constructor & Destructor Documentation

SCSpringList::SCSpringList ( SCAtomVec *  scs, flt  eps, flt  sig, flt  l  )

inline

Create an SCSpringList based on scs, using an epsilon of eps, a diameter of sigma, and a "length" of l, where l is cap center-to-cap center distance.

SCSpringList::SCSpringList ( SCAtomVec *  scs, flt  eps, flt  sig, vector< flt >  ls  )

inline

SCSpringList::~SCSpringList ( )

inline

Member Function Documentation

flt SCSpringList::energy ( Box &  box )

virtual

Potential energy due to this Interaction.

Implements Interaction.

void SCSpringList::ignore ( uint  n1, uint  n2  )

inline

void SCSpringList::ignore ( AtomID  a1, AtomID  a2  )

inline

flt SCSpringList::phi ( Box &  box )

inline

flt SCSpringList::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 SCSpringList::set_forces ( Box &  box )

virtual

Implements Interaction.

flt SCSpringList::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.

Matrix SCSpringList::set_forces_get_stress

(

Box &

box

)

Matrix SCSpringList::stress ( Box &  box )

virtual

The force-moment tensor for the current simulation:

\(\tau^{\alpha \beta} = \sum_{\left<i,j \right>} r_{ij}^\alpha F_{ij}^\beta\).

At \(T=0\), the stress tensor \(\Sigma = \frac{1}{dV} \tau \).

Reimplemented from Interaction.

flt SCSpringList::volume

(

)

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

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