OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::Lattice Class Referenceabstract

#include <LatticeCreator.hpp>

Inheritance diagram for OpenMD::Lattice:

Public Member Functions

int getNumSitesPerCell ()
void getLatticePointsPos (std::vector< Vector3d > &latticePos, int nx, int ny, int nz)
std::vector< Vector3d > getLatticePointsOrt ()
virtual std::vector< RealType > getLatticeConstant ()=0
virtual void setLatticeConstant (const std::vector< RealType > &lc)=0
Vector3d getOrigin ()
void setOrigin (const Vector3d &newOrigin)

Protected Member Functions

virtual void update ()=0

Protected Attributes

int nCellSites
Vector3d origin
std::vector< Vector3d > cellSitesPos
std::vector< Vector3d > cellSitesOrt
Vector3d cellLen

Detailed Description

Todo
document

Definition at line 57 of file Lattice.hpp.

Constructor & Destructor Documentation

◆ Lattice()

OpenMD::Lattice::Lattice ( )
inlineprotected

Definition at line 59 of file Lattice.hpp.

Member Function Documentation

◆ getLatticePointsOrt()

std::vector< Vector3d > OpenMD::Lattice::getLatticePointsOrt ( )
inline

Definition at line 70 of file Lattice.hpp.

◆ getLatticePointsPos()

void OpenMD::Lattice::getLatticePointsPos ( std::vector< Vector3d > & latticePos,
int nx,
int ny,
int nz )

Definition at line 51 of file Lattice.cpp.

◆ getNumSitesPerCell()

int OpenMD::Lattice::getNumSitesPerCell ( )
inline

Definition at line 65 of file Lattice.hpp.

◆ getOrigin()

Vector3d OpenMD::Lattice::getOrigin ( )
inline

Definition at line 79 of file Lattice.hpp.

◆ setOrigin()

void OpenMD::Lattice::setOrigin ( const Vector3d & newOrigin)
inline

Definition at line 82 of file Lattice.hpp.

Member Data Documentation

◆ cellLen

Vector3d OpenMD::Lattice::cellLen
protected

Definition at line 91 of file Lattice.hpp.

◆ cellSitesOrt

std::vector<Vector3d> OpenMD::Lattice::cellSitesOrt
protected

Definition at line 90 of file Lattice.hpp.

◆ cellSitesPos

std::vector<Vector3d> OpenMD::Lattice::cellSitesPos
protected

Definition at line 89 of file Lattice.hpp.

◆ nCellSites

int OpenMD::Lattice::nCellSites
protected

Definition at line 87 of file Lattice.hpp.

◆ origin

Vector3d OpenMD::Lattice::origin
protected

Definition at line 88 of file Lattice.hpp.


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