OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::Cuboctahedron Class Reference

Generates coordinates of atoms inside a Cuboctahedron. More...

#include <Cuboctahedron.hpp>

Inheritance diagram for OpenMD::Cuboctahedron:
OpenMD::RegularCuboctahedron OpenMD::TruncatedCube

Public Member Functions

 Cuboctahedron (std::string lattice, int cells, int planes)
 Default constructor. More...
 
virtual ~Cuboctahedron ()
 
virtual vector< Vector3dgetPoints ()
 Get the generated points in the cluster. More...
 

Protected Member Functions

bool inCluster111 (Vector3d r)
 
bool inCluster (Vector3d r)
 

Protected Attributes

std::string lattice_
 
int L_
 
int M_
 
vector< Vector3dPoints
 
vector< Vector3dBasis
 

Detailed Description

Generates coordinates of atoms inside a Cuboctahedron.

(Heavily modified from Matlab code from: Dmitry, Richard Brown, and Evgeny Pr)

Definition at line 94 of file Cuboctahedron.hpp.

Constructor & Destructor Documentation

◆ Cuboctahedron()

OpenMD::Cuboctahedron::Cuboctahedron ( std::string  lattice,
int  cells,
int  planes 
)

Default constructor.

Definition at line 57 of file Cuboctahedron.cpp.

References Basis, Points, and OpenMD::toUpper().

◆ ~Cuboctahedron()

OpenMD::Cuboctahedron::~Cuboctahedron ( )
virtual

Definition at line 83 of file Cuboctahedron.cpp.

References Basis, and Points.

Member Function Documentation

◆ getPoints()

vector< Vector3d > OpenMD::Cuboctahedron::getPoints ( )
virtual

Get the generated points in the cluster.

Definition at line 88 of file Cuboctahedron.cpp.

References Basis, inCluster(), L_, OpenMD::Vector< Real, Dim >::lengthSquare(), OpenMD::pairCompare(), and Points.

Referenced by main().

◆ inCluster()

bool OpenMD::Cuboctahedron::inCluster ( Vector3d  r)
protected

Definition at line 140 of file Cuboctahedron.cpp.

References inCluster111().

Referenced by getPoints().

◆ inCluster111()

bool OpenMD::Cuboctahedron::inCluster111 ( Vector3d  r)
protected

Member Data Documentation

◆ Basis

vector<Vector3d> OpenMD::Cuboctahedron::Basis
protected

Definition at line 113 of file Cuboctahedron.hpp.

Referenced by Cuboctahedron(), getPoints(), and ~Cuboctahedron().

◆ L_

int OpenMD::Cuboctahedron::L_
protected

Definition at line 108 of file Cuboctahedron.hpp.

Referenced by getPoints(), and inCluster111().

◆ lattice_

std::string OpenMD::Cuboctahedron::lattice_
protected

Definition at line 107 of file Cuboctahedron.hpp.

◆ M_

int OpenMD::Cuboctahedron::M_
protected

Definition at line 110 of file Cuboctahedron.hpp.

Referenced by inCluster111().

◆ Points

vector<Vector3d> OpenMD::Cuboctahedron::Points
protected

Definition at line 112 of file Cuboctahedron.hpp.

Referenced by Cuboctahedron(), getPoints(), and ~Cuboctahedron().


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