CalculateGreenFunction: /home/pxiang/workspace_new/CalculateGreenFunction/src/directCalculation/direct

00001 /*
00002  * direct_calculation.h
00003  *
00004  *  Created on: Jan 10, 2014
00005  *      Author: pxiang
00006  */
00007 
00008 #ifndef DIRECT_CALCULATION_H_
00009 #define DIRECT_CALCULATION_H_
00010 
00011 #include "../Utility/types.h"
00012 #include "../Utility/misc.h"
00013 #include "../basis_set/basis.h"
00014 #include "../formMatrix/formMatrix.h"
00015 #include "../IO/binaryIO.h"
00016 #include "../IO/textIO.h"
00017 #include "../IO/MatrixIO.h"
00018 
00019 
00020 void formAllBasisSets(LatticeShape& lattice, IMatrix& basisIndex,
00021                 std::vector<Basis>& basisSets);
00022 
00023 void formHamiltonianMatrix(LatticeShape& lattice, DMatrix& hamiltonian, IMatrix& basisIndex,
00024                                    std::vector<Basis>& basisSets);
00025 
00026 void obtainEigenVectors(DMatrix& hamiltonian, DVector& eigenValues, DMatrix& eigenVectors);
00027 
00028 void numeratorHelper(LatticeShape& lattice, Basis& bra, Basis& ket, IMatrix& basisIndex,
00029                              DMatrix& eigenVectors, CDArray& numerator);
00030 
00031 void denominatorHelper(dcomplex z, DVector& eigenValues, CDArray& oneOverDenominator);
00032 
00033 dcomplex greenFuncHelper(CDArray& numerator, CDArray& oneOverDenominator);
00034 
00035 void greenFunc_direct(LatticeShape& lattice, Basis& bra, Basis& ket, std::vector<dcomplex >& zList,
00036                                    std::vector<dcomplex>& gfList);
00037 
00038 void densityOfState_direct(LatticeShape& lattice, Basis& basis, std::vector<dcomplex >& zList,
00039                                    std::vector<double>& dosList);
00040 
00044 void calculateAllGreenFunc_direct(LatticeShape& lattice,  Basis& initialSites,
00045                                           std::vector<dcomplex >& zList,
00046                                   std::vector<std::string>& fileList);
00047 
00056 void densityOfStateAll_direct(LatticeShape& lattice, std::vector<dcomplex >& zList,
00057                                    std::vector<std::string>& fileList);
00058 
00059 #endif /* DIRECT_CALCULATION_H_ */
/home/pxiang/workspace_new/CalculateGreenFunction/src/directCalculation/direct_calculation.h
