OpenMD 3.1
Molecular Dynamics in the Open
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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< Vector3d > | getPoints (int nShells) |
Get the generated points in an icosahedron with nShells shells. | |
Protected Member Functions | |
std::vector< Vector3d > | ih (int n) |
Create nth layer particles. | |
int | np (int n) |
Calculate number of particles on the nth layer. | |
Protected Attributes | |
std::vector< Vector3d > | Points |
std::vector< std::pair< int, int > > | Edges |
std::vector< std::tuple< int, int, int > > | Facets |
std::vector< Vector3d > | Basis |
Create the Mackay icosahedron structure.
(Heavily modified from code from Yanting Wang date 07/21/2003)
Definition at line 65 of file Icosahedron.hpp.
OpenMD::Icosahedron::Icosahedron | ( | ) |
Default constructor.
Definition at line 51 of file Icosahedron.cpp.
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().
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().
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Create nth layer particles.
Definition at line 175 of file Icosahedron.cpp.
Referenced by getPoints().
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Calculate number of particles on the nth layer.
Definition at line 156 of file Icosahedron.cpp.
Referenced by getNpoints().
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Definition at line 86 of file Icosahedron.hpp.
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Definition at line 84 of file Icosahedron.hpp.
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Definition at line 85 of file Icosahedron.hpp.
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Definition at line 83 of file Icosahedron.hpp.