CalculateGreenFunction: /home/pxiang/workspace_new/CalculateGreenFunction/src/recursiveCalculation/recursiveCalculation.h Source File

00001 /*
00002  * recursiveCalculation.h
00003  *
00004  *  Created on: Jun 24, 2014
00005  *      Author: pxiang
00006  */
00007 
00008 #ifndef RECURSIVECALCULATION_H_
00009 #define RECURSIVECALCULATION_H_
00010 
00011 #include "../Utility/types.h"
00012 #include "../Utility/misc.h"
00013 #include "../basis_set/basis.h"
00014 #include "../IO/binaryIO.h"
00015 #include "../IO/textIO.h"
00016 #include "../IO/MatrixIO.h"
00017 #include "../formMatrix/formMatrix.h"
00018 
00019 typedef struct {
00020         int KLeftStart;
00021         int KLeftStop;
00022         int KCenter;
00023         int KRightStop;
00024         int KRightStart;
00025         int maxDistance; //step size of the Recursion
00026         int Csize; // the size of the constant vector C in the quation for V_{KCenter}
00027         int indexForNonzero; // the index for the only nonzero element in vector C
00028 } RecursionData;
00029 
00030 
00031 
00032 void deleteMatrixFiles(std::string files);
00033 
00034 void solveDenseLinearEqs(CDMatrix& A, CDMatrix& B, CDMatrix& X);
00035 
00036 
00037 
00041 int findCorrespondingVK(LatticeShape& lattice, int maxDistance, Basis& basis);
00042 
00046 int getBasisIndexInVK(LatticeShape& lattice, int K, Basis& basis);
00047 
00051 void setUpIndexInteractions(LatticeShape& lattice,
00052                 InteractionData& interactionData);
00053 
00054 void setUpRecursion(LatticeShape& lattice, InteractionData& interactionData,
00055                             Basis& initialSites, RecursionData& rd);
00056 
00057 
00058 void fromRightToCenter(RecursionData& recursionData,
00059                 dcomplex z, CDMatrix& AKRightStop, bool saveAMatrices=true);
00060 
00061 void fromLeftToCenter(RecursionData& recursionData,
00062                 dcomplex z, CDMatrix& ATildeKLeftStop, bool saveAMatrices=true);
00063 
00064 void solveVKCenter(RecursionData& recursionData, dcomplex z,
00065                            CDMatrix& ATildeKLeftStop, CDMatrix& AKRightStop,
00066                            CDMatrix& VKCenter);
00067 
00068 void calculateDensityOfState(LatticeShape& lattice, Basis& initialSites,
00069                                       InteractionData& interactionData,
00070                                       const std::vector<dcomplex>& zList,
00071                                       std::vector<double>& rhoList);
00072 
00078 void calculateDensityOfStateAll(LatticeShape& lattice,
00079                                       InteractionData& interactionData,
00080                                       const std::vector<dcomplex>& zList,
00081                                       std::vector<std::string>& fileList);
00082 
00083 
00088 void calculateGreenFunc(LatticeShape& lattice, Basis& finalSites, Basis& initialSites,
00089                                 InteractionData& interactionData,
00090                         const std::vector<dcomplex>& zList,
00091                         std::vector<dcomplex>& gfList);
00092 
00097 void calculateAllGreenFunc(LatticeShape& lattice,  Basis& initialSites,
00098                                 InteractionData& interactionData, std::vector<dcomplex> zList,
00099                         std::vector< std::string > fileList);
00100 
00101 
00102 /*
00103  * extract the matrix element G(n, m, initial_sites) from files stored in disk
00104  *
00105  * lattice --- contains the information about the size and shape of the crystal
00106  * maxDistance --- the range of dipole-dipole interaction
00107  *                 (in the unit of lattice constant)
00108  */
00109 
00110 dcomplex extractMatrixElement(int n, int m, LatticeShape& lattice, int maxDistance);
00111 
00112 #endif /* RECURSIVECALCULATION_HPP_ */