Albany: a Trilinos-based PDE code: QCAD_CoupledPSJacobian.hpp Source File

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00001 //*****************************************************************//
00002 //    Albany 2.0:  Copyright 2012 Sandia Corporation               //
00003 //    This Software is released under the BSD license detailed     //
00004 //    in the file "license.txt" in the top-level Albany directory  //
00005 //*****************************************************************//
00006 
00007 #ifndef QCAD_COUPLEDPSJACOBIAN_H
00008 #define QCAD_COUPLEDPSJACOBIAN_H
00009 
00010 #include <iostream>
00011 #include "Epetra_Comm.h"
00012 #include "Epetra_Map.h"
00013 #include "Epetra_Vector.h"
00014 #include "Epetra_Operator.h"
00015 #include "Epetra_CrsMatrix.h"
00016 #include "Epetra_Import.h"
00017 
00018 
00019 #include "Teuchos_RCP.hpp"
00020 
00021 namespace QCAD {
00022 
00027   class CoupledPSJacobian : public Epetra_Operator {
00028   public:
00029     CoupledPSJacobian(int nEigenvals, 
00030           const Teuchos::RCP<const Epetra_Map>& discMap, 
00031           const Teuchos::RCP<const Epetra_Map>& fullPSMap,
00032           const Teuchos::RCP<const Epetra_Comm>& comm,
00033           int dim, int valleyDegen, double temp,
00034           double lengthUnitInMeters, double energyUnitInElectronVolts,
00035           double effMass, double conductionBandOffset);
00036     ~CoupledPSJacobian();
00037 
00039     void initialize(const Teuchos::RCP<Epetra_CrsMatrix>& poissonJac, const Teuchos::RCP<Epetra_CrsMatrix>& schrodingerJac, 
00040         const Teuchos::RCP<Epetra_CrsMatrix>& massMatrix,
00041         const Teuchos::RCP<Epetra_Vector>& eigenvals, const Teuchos::RCP<const Epetra_MultiVector>& eigenvecs);
00042 
00044     virtual int SetUseTranspose(bool UseTranspose) { bUseTranspose = UseTranspose; return 0; }; //Note: could return -1 if transpose isn't supported
00045 
00047     virtual int Apply(const Epetra_MultiVector& X, Epetra_MultiVector& Y) const;
00048 
00050     virtual int ApplyInverse(const Epetra_MultiVector& X, Epetra_MultiVector& Y) const;
00051 
00053     virtual double NormInf() const { return 0.0; }
00054 
00056     virtual const char * Label() const { return "Coupled Poisson-Schrodinger Jacobian"; }
00057 
00059     virtual bool UseTranspose() const { return bUseTranspose; }
00060 
00062     virtual bool HasNormInf() const { return false; }
00063 
00065     virtual const Epetra_Comm & Comm() const { return *myComm; }
00066 
00068     virtual const Epetra_Map & OperatorDomainMap() const { return *domainMap; }
00069 
00071     virtual const Epetra_Map & OperatorRangeMap() const { return *rangeMap; }
00072     
00073   private:
00074 
00075     Teuchos::RCP<const Epetra_Map> discMap;
00076     Teuchos::RCP<const Epetra_Map> dist_evalMap, local_evalMap;
00077     Teuchos::RCP<const Epetra_Map> domainMap, rangeMap;
00078     Teuchos::RCP<const Epetra_Comm> myComm;
00079     Teuchos::RCP<const Epetra_Import> eval_importer;
00080     bool bUseTranspose;
00081     bool bInitialized;
00082 
00083     Teuchos::RCP<Epetra_CrsMatrix> poissonJacobian, schrodingerJacobian;
00084     Teuchos::RCP<Epetra_CrsMatrix> massMatrix;
00085     Teuchos::RCP<Epetra_Vector> neg_eigenvalues;
00086     Teuchos::RCP<const Epetra_MultiVector> psiVectors;
00087 
00088     // Intermediate quantities precomputed in initialize() to speed up Apply()
00089     Teuchos::RCP<Epetra_MultiVector> dn_dPsi, dn_dEval;
00090     Teuchos::RCP<Epetra_MultiVector> M_Psi, MT_Psi;
00091     Teuchos::RCP<Epetra_Vector> x_neg_evals_local;
00092     
00093     // Values for computing the quantum density
00094     int numDims;
00095     int valleyDegenFactor;
00096     double temperature;
00097     double length_unit_in_m;
00098     double energy_unit_in_eV;
00099     double effmass;
00100 
00101     double offset_to_CB;
00102   };
00103 
00104 }
00105 #endif