CheMPS2
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This is the complete list of members for CheMPS2::FCI, including all inherited members.
ActWithNumberOperator(const unsigned int orbIndex, double *resultVector, double *sourceVector) const | CheMPS2::FCI | protected |
ActWithSecondQuantizedOperator(const char whichOperator, const bool isUp, const unsigned int orbIndex, double *thisVector, const FCI *otherFCI, double *otherVector) const | CheMPS2::FCI | protected |
apply_excitation(double *orig_vector, double *result_vector, const int crea, const int anni, const int orig_target_irrep) const | CheMPS2::FCI | protected |
bits2str(const unsigned int Lvalue, int *bits) | CheMPS2::FCI | protectedstatic |
CalcSpinSquared(double *vector) const | CheMPS2::FCI | |
CGAlphaPlusBetaHAM(const double alpha, const double beta, double *in, double *out) const | CheMPS2::FCI | protected |
CGCoreSolver(const double alpha, const double beta, const double eta, double *precon, double *Sol, double *RESID, double *PVEC, double *OxPVEC, double *temp, double *temp2) const | CheMPS2::FCI | protected |
CGdiagonal(const double alpha, const double beta, const double eta, double *diagonal, double *workspace) const | CheMPS2::FCI | protected |
CGoperator(const double alpha, const double beta, const double eta, double *in, double *temp, double *out) const | CheMPS2::FCI | protected |
CGSolveSystem(const double alpha, const double beta, const double eta, double *RHS, double *RealSol, double *ImagSol, const bool checkError=true) const | CheMPS2::FCI | |
ClearVector(const unsigned int vecLength, double *vec) | CheMPS2::FCI | static |
DensityResponseGF(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const double GSenergy, double *GSvector, double *RePartGF, double *ImPartGF) const | CheMPS2::FCI | |
DensityResponseGF_backward(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const double GSenergy, double *GSvector, double *RePartGF, double *ImPartGF, double *TwoRDMreal=NULL, double *TwoRDMimag=NULL, double *TwoRDMdens=NULL) const | CheMPS2::FCI | |
DensityResponseGF_forward(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const double GSenergy, double *GSvector, double *RePartGF, double *ImPartGF, double *TwoRDMreal=NULL, double *TwoRDMimag=NULL, double *TwoRDMdens=NULL) const | CheMPS2::FCI | |
Diag4RDM(double *vector, double *three_rdm, const unsigned int orbz, double *output) const | CheMPS2::FCI | |
DiagHam(double *diag) const | CheMPS2::FCI | protected |
DiagHamSquared(double *output) const | CheMPS2::FCI | protected |
FCI(CheMPS2::Hamiltonian *Ham, const unsigned int Nel_up, const unsigned int Nel_down, const int TargetIrrep, const double maxMemWorkMB=100.0, const int FCIverbose=2) | CheMPS2::FCI | |
FCIdaxpy(const unsigned int vecLength, const double alpha, double *vec_x, double *vec_y) | CheMPS2::FCI | protectedstatic |
FCIdcopy(const unsigned int vecLength, double *origin, double *target) | CheMPS2::FCI | protectedstatic |
FCIddot(const unsigned int vecLength, double *vec1, double *vec2) | CheMPS2::FCI | protectedstatic |
FCIdscal(const unsigned int vecLength, const double alpha, double *vec) | CheMPS2::FCI | protectedstatic |
FCIfrobeniusnorm(const unsigned int vecLength, double *vec) | CheMPS2::FCI | protectedstatic |
Fill2RDM(double *vector, double *TwoRDM) const | CheMPS2::FCI | |
Fill3RDM(double *vector, double *ThreeRDM) const | CheMPS2::FCI | |
Fill4RDM(double *vector, double *FourRDM) const | CheMPS2::FCI | |
FillRandom(const unsigned int vecLength, double *vec) | CheMPS2::FCI | static |
Fock4RDM(double *vector, double *ThreeRDM, double *Fock, double *output) const | CheMPS2::FCI | |
getBitsOfCounter(const int irrep_center, const unsigned int counter, int *bits_up, int *bits_down) const | CheMPS2::FCI | protected |
getEconst() const | CheMPS2::FCI | inline |
getERI(const int orb1, const int orb2, const int orb3, const int orb4) const | CheMPS2::FCI | inline |
getFCIcoeff(int *bits_up, int *bits_down, double *vector) const | CheMPS2::FCI | |
getGmat(const int orb1, const int orb2) const | CheMPS2::FCI | inline |
getL() const | CheMPS2::FCI | inline |
GetMatrixElement(int *bits_bra_up, int *bits_bra_down, int *bits_ket_up, int *bits_ket_down, int *work) const | CheMPS2::FCI | protected |
getNel_down() const | CheMPS2::FCI | inline |
getNel_up() const | CheMPS2::FCI | inline |
getOrb2Irrep(const int orb) const | CheMPS2::FCI | inline |
getTargetIrrep() const | CheMPS2::FCI | inline |
getUpIrrepOfCounter(const int irrep_center, const unsigned int counter) const | CheMPS2::FCI | protected |
getVecLength(const int irrep_center) const | CheMPS2::FCI | inline |
GFmatrix_addition(const double alpha, const double beta, const double eta, int *orbsLeft, const unsigned int numLeft, int *orbsRight, const unsigned int numRight, const bool isUp, double *GSvector, CheMPS2::Hamiltonian *Ham, double *RePartsGF, double *ImPartsGF, double **TwoRDMreal=NULL, double **TwoRDMimag=NULL, double **TwoRDMadd=NULL) const | CheMPS2::FCI | |
GFmatrix_removal(const double alpha, const double beta, const double eta, int *orbsLeft, const unsigned int numLeft, int *orbsRight, const unsigned int numRight, const bool isUp, double *GSvector, CheMPS2::Hamiltonian *Ham, double *RePartsGF, double *ImPartsGF, double **TwoRDMreal=NULL, double **TwoRDMimag=NULL, double **TwoRDMrem=NULL) const | CheMPS2::FCI | |
GSDavidson(double *inoutput=NULL, const int DVDSN_NUM_VEC=CheMPS2::DAVIDSON_NUM_VEC) const | CheMPS2::FCI | |
LowestEnergyDeterminant() const | CheMPS2::FCI | |
matvec(double *input, double *output) const | CheMPS2::FCI | protected |
RetardedGF(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const bool isUp, const double GSenergy, double *GSvector, CheMPS2::Hamiltonian *Ham, double *RePartGF, double *ImPartGF) const | CheMPS2::FCI | |
RetardedGF_addition(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const bool isUp, const double GSenergy, double *GSvector, CheMPS2::Hamiltonian *Ham, double *RePartGF, double *ImPartGF, double *TwoRDMreal=NULL, double *TwoRDMimag=NULL, double *TwoRDMadd=NULL) const | CheMPS2::FCI | |
RetardedGF_removal(const double omega, const double eta, const unsigned int orb_alpha, const unsigned int orb_beta, const bool isUp, const double GSenergy, double *GSvector, CheMPS2::Hamiltonian *Ham, double *RePartGF, double *ImPartGF, double *TwoRDMreal=NULL, double *TwoRDMimag=NULL, double *TwoRDMrem=NULL) const | CheMPS2::FCI | |
str2bits(const unsigned int Lvalue, const unsigned int bitstring, int *bits) | CheMPS2::FCI | protectedstatic |
~FCI() | CheMPS2::FCI | virtual |