NListed< A, P > Class Template Reference

#include <interaction.hpp>

Inheritance diagram for NListed< A, P >:

Public Member Functions
	NListed (sptr< AtomVec > vec, sptr< NeighborList > neighbors)
void	add (A atm)
	NListed (sptr< Box > box, sptr< AtomVec > atomv, const flt skin)
void	update_pairs ()
P	get_pair (IDPair &pair)
A &	getatom (uint n)
flt	energy (Box &box, IDPair &pair)
flt	energy (Box &box)
	Potential energy due to this Interaction. More...
unsigned long long	contacts (Box &box)
	number of Atom pairs with E != 0 More...
unsigned long long	overlaps (Box &box)
	number of Atom pairs with E > 0 More...
flt	pressure (Box &box)
	Partial pressure due to this Interaction. More...
vector< P > &	pair_iter ()
uint	size ()
flt	energy_pair (P pair, Box &box)
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...
Matrix	stress (Box &box)
	The force-moment tensor for the current simulation: More...
Matrix	set_forces_get_stress (Box &box)
Vec	forces_pair (P pair, Box &box)
vector< A > &	atom_list ()
sptr< NeighborList >	neighbor_list ()
	~NListed ()
Public Member Functions inherited from Interaction
virtual	~Interaction ()

Protected Attributes
vector< A >	atoms
vector< P >	pairs
sptr< NeighborList >	neighbors
uint	last_update

Detailed Description

template<class A, class P>
class NListed< A, P >

Examples:

hardspheres.cpp, LJatoms.cpp, and packer.cpp.

Constructor & Destructor Documentation

template<class A, class P>

NListed< A, P >::NListed ( sptr< AtomVec >  vec, sptr< NeighborList >  neighbors  )

inline

template<class A, class P>

NListed< A, P >::NListed ( sptr< Box >  box, sptr< AtomVec >  atomv, const flt  skin  )

inline

template<class A, class P>

NListed< A, P >::~NListed ( )

inline

Member Function Documentation

template<class A, class P>

void NListed< A, P >::add ( A  atm )

inline

template<class A, class P>

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

inline

template<class A , class P >

unsigned long long NListed< A, P >::contacts

(

Box &

box

)

number of Atom pairs with E != 0

template<class A , class P >

flt NListed< A, P >::energy	(	Box &	box,
		IDPair &	pair
	)

template<class A , class P >

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

virtual

Potential energy due to this Interaction.

Implements Interaction.

template<class A, class P>

flt NListed< A, P >::energy_pair ( P  pair, Box &  box  )

inline

template<class A, class P>

Vec NListed< A, P >::forces_pair ( P  pair, Box &  box  )

inline

template<class A, class P>

P NListed< A, P >::get_pair ( IDPair &  pair )

inline

template<class A, class P>

A& NListed< A, P >::getatom ( uint  n )

inline

template<class A, class P>

sptr<NeighborList> NListed< A, P >::neighbor_list ( )

inline

template<class A , class P >

unsigned long long NListed< A, P >::overlaps

(

Box &

box

)

number of Atom pairs with E > 0

template<class A, class P>

vector<P>& NListed< A, P >::pair_iter ( )

inline

template<class A , class P >

flt NListed< 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 NListed< A, P >::set_forces ( Box &  box )

virtual

Implements Interaction.

template<class A , class P >

flt NListed< 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.

template<class A , class P >

Matrix NListed< A, P >::set_forces_get_stress

(

Box &

box

)

template<class A, class P>

uint NListed< A, P >::size ( )

inline

template<class A , class P >

Matrix NListed< A, P >::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.

template<class A , class P >

void NListed< A, P >::update_pairs

(

)

Member Data Documentation

template<class A, class P>

vector<A> NListed< A, P >::atoms

protected

template<class A, class P>

uint NListed< A, P >::last_update

protected

template<class A, class P>

sptr<NeighborList> NListed< A, P >::neighbors

protected

template<class A, class P>

vector<P> NListed< A, P >::pairs

protected

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

• src/interaction.hpp