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

Create the Mackay icosahedron structure. More...

#include <Icosahedron.hpp>

Public Member Functions

 Icosahedron ()
 Default constructor. More...
 
virtual ~Icosahedron ()
 
int getNpoints (int nShells)
 Calculate number of particles in an icosahedron with nShells shells. More...
 
vector< Vector3dgetPoints (int nShells)
 Get the generated points in an icosahedron with nShells shells. More...
 

Protected Member Functions

vector< Vector3dih (int n)
 Create nth layer particles. More...
 
int np (int n)
 Calculate number of particles on the nth layer. More...
 

Protected Attributes

vector< Vector3dPoints
 
vector< pair< int, int > > Edges
 
vector< tuple3< int, int, int > > Facets
 
vector< Vector3dBasis
 

Detailed Description

Create the Mackay icosahedron structure.

(Heavily modified from code from Yanting Wang date 07/21/2003)

Definition at line 63 of file Icosahedron.hpp.

Constructor & Destructor Documentation

◆ Icosahedron()

OpenMD::Icosahedron::Icosahedron ( )

Default constructor.

Definition at line 49 of file Icosahedron.cpp.

References OpenMD::make_tuple3().

◆ ~Icosahedron()

OpenMD::Icosahedron::~Icosahedron ( )
virtual

Definition at line 148 of file Icosahedron.cpp.

Member Function Documentation

◆ getNpoints()

int OpenMD::Icosahedron::getNpoints ( int  nShells)

Calculate number of particles in an icosahedron with nShells shells.

Definition at line 155 of file Icosahedron.cpp.

◆ getPoints()

vector< Vector3d > OpenMD::Icosahedron::getPoints ( int  nShells)

Get the generated points in an icosahedron with nShells shells.

Definition at line 239 of file Icosahedron.cpp.

Referenced by main().

◆ ih()

vector< Vector3d > OpenMD::Icosahedron::ih ( int  n)
protected

Create nth layer particles.

Definition at line 175 of file Icosahedron.cpp.

◆ np()

int OpenMD::Icosahedron::np ( int  n)
protected

Calculate number of particles on the nth layer.

Definition at line 161 of file Icosahedron.cpp.

Member Data Documentation

◆ Basis

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

Definition at line 84 of file Icosahedron.hpp.

◆ Edges

vector<pair<int, int> > OpenMD::Icosahedron::Edges
protected

Definition at line 82 of file Icosahedron.hpp.

◆ Facets

vector<tuple3<int, int, int> > OpenMD::Icosahedron::Facets
protected

Definition at line 83 of file Icosahedron.hpp.

◆ Points

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

Definition at line 81 of file Icosahedron.hpp.


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