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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* such damages. |
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*/ |
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#ifndef LATTICE_LATTICE_HPP |
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#define LATTICE_LATTICE_HPP |
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#include "lattice/BaseLattice.hpp" |
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#include <string> |
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#ifndef LATTICE_BASELATTICE_HPP |
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#define LATTICE_BASELATTICE_HPP |
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#include <vector> |
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#include "math/Vector3.hpp" |
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namespace oopse { |
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const std::string FCCLatticeType = "FCC"; |
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const std::string BCCLatticeType = "BCC"; |
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const std::string HCPCLatticeType = "HCP"; |
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const std::string OrthorhombicLatticeType = "ORTHORHOMBIC"; |
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class CubicLattice : public BaseLattice{ |
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class Lattice{ |
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protected: |
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CubicLattice(); |
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Lattice(){ |
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setOrigin(V3Zero); |
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} |
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public: |
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//virtual destructor of Lattice |
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virtual ~Lattice() {} |
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int getNumSitesPerCell() {return nCellSites;} |
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void getLatticePointsPos(std::vector<Vector3d>& latticePos, int nx, int ny, int nz); |
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std::vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;} |
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//get lattice constant of unit cell |
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virtual std::vector<double> getLatticeConstant(); |
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virtual std::vector<RealType> getLatticeConstant() =0; |
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//set lattice constant of unit cell |
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virtual void setLatticeConstant(const std::vector<double>& lc); |
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protected: |
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double latticeParam; |
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}; |
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virtual void setLatticeConstant(const std::vector<RealType>& lc)=0; |
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//get origin of unit cell |
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Vector3d getOrigin( ) {return origin;} |
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class FCCLattice : public CubicLattice{ |
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public: |
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FCCLattice(); |
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virtual const std::string getLatticeType() {return FCCLatticeType;} |
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virtual void update(); |
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//set origin of unit cell |
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void setOrigin(const Vector3d& newOrigin){ |
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this->origin = newOrigin; |
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} |
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protected: |
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virtual void update() =0; |
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}; |
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int nCellSites; |
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Vector3d origin; |
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std::vector<Vector3d> cellSitesPos; |
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std::vector<Vector3d> cellSitesOrt; |
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Vector3d cellLen; |
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}; |
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} |
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#endif |
