OpenMD 3.1
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
OpenMD::Icosahedron Class Reference

Create the Mackay icosahedron structure. More...

#include <Icosahedron.hpp>

Public Member Functions

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

Protected Member Functions

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

Protected Attributes

std::vector< Vector3dPoints
 
std::vector< std::pair< int, int > > Edges
 
std::vector< std::tuple< int, int, int > > Facets
 
std::vector< Vector3dBasis
 

Detailed Description

Create the Mackay icosahedron structure.

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

Definition at line 65 of file Icosahedron.hpp.

Constructor & Destructor Documentation

◆ Icosahedron()

OpenMD::Icosahedron::Icosahedron ( )

Default constructor.

Definition at line 51 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 149 of file Icosahedron.cpp.

References np().

◆ getPoints()

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

Get the generated points in an icosahedron with nShells shells.

Definition at line 231 of file Icosahedron.cpp.

References ih().

◆ ih()

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

Create nth layer particles.

Definition at line 175 of file Icosahedron.cpp.

Referenced by getPoints().

◆ np()

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

Calculate number of particles on the nth layer.

Definition at line 156 of file Icosahedron.cpp.

Referenced by getNpoints().

Member Data Documentation

◆ Basis

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

Definition at line 86 of file Icosahedron.hpp.

◆ Edges

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

Definition at line 84 of file Icosahedron.hpp.

◆ Facets

std::vector<std::tuple<int, int, int> > OpenMD::Icosahedron::Facets
protected

Definition at line 85 of file Icosahedron.hpp.

◆ Points

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

Definition at line 83 of file Icosahedron.hpp.


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