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

#include <CubicLattice.hpp>

Inheritance diagram for OpenMD::CubicLattice:
OpenMD::Lattice OpenMD::FCCLattice

Public Member Functions

virtual std::vector< RealType > getLatticeConstant ()
 
virtual void setLatticeConstant (const std::vector< RealType > &lc)
 
- Public Member Functions inherited from OpenMD::Lattice
virtual ~Lattice ()
 
int getNumSitesPerCell ()
 
void getLatticePointsPos (std::vector< Vector3d > &latticePos, int nx, int ny, int nz)
 
std::vector< Vector3dgetLatticePointsOrt ()
 
Vector3d getOrigin ()
 
void setOrigin (const Vector3d &newOrigin)
 

Protected Member Functions

 CubicLattice ()
 
- Protected Member Functions inherited from OpenMD::Lattice
 Lattice ()
 
virtual void update ()=0
 

Protected Attributes

RealType latticeParam
 
- Protected Attributes inherited from OpenMD::Lattice
int nCellSites
 
Vector3d origin
 
std::vector< Vector3dcellSitesPos
 
std::vector< Vector3dcellSitesOrt
 
Vector3d cellLen
 

Detailed Description

Definition at line 51 of file CubicLattice.hpp.

Constructor & Destructor Documentation

◆ CubicLattice()

OpenMD::CubicLattice::CubicLattice ( )
protected

Definition at line 48 of file CubicLattice.cpp.

References OpenMD::Lattice::cellLen, and latticeParam.

Member Function Documentation

◆ getLatticeConstant()

std::vector< RealType > OpenMD::CubicLattice::getLatticeConstant ( )
virtual

Implements OpenMD::Lattice.

Definition at line 57 of file CubicLattice.cpp.

References OpenMD::Lattice::cellLen, and OpenMD::Vector3< Real >::x().

◆ setLatticeConstant()

void OpenMD::CubicLattice::setLatticeConstant ( const std::vector< RealType > &  lc)
virtual

Implements OpenMD::Lattice.

Definition at line 64 of file CubicLattice.cpp.

References OpenMD::Lattice::cellLen, latticeParam, and OpenMD::Lattice::update().

Member Data Documentation

◆ latticeParam

RealType OpenMD::CubicLattice::latticeParam
protected

Definition at line 61 of file CubicLattice.hpp.

Referenced by CubicLattice(), setLatticeConstant(), and OpenMD::FCCLattice::update().


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