CheMPS2
CheMPS2::FCI Member List

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::FCIprotected
ActWithSecondQuantizedOperator(const char whichOperator, const bool isUp, const unsigned int orbIndex, double *thisVector, const FCI *otherFCI, double *otherVector) const CheMPS2::FCIprotected
apply_excitation(double *orig_vector, double *result_vector, const int crea, const int anni, const int orig_target_irrep) const CheMPS2::FCIprotected
bits2str(const unsigned int Lvalue, int *bits)CheMPS2::FCIprotectedstatic
CalcSpinSquared(double *vector) const CheMPS2::FCI
CGAlphaPlusBetaHAM(const double alpha, const double beta, double *in, double *out) const CheMPS2::FCIprotected
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::FCIprotected
CGdiagonal(const double alpha, const double beta, const double eta, double *diagonal, double *workspace) const CheMPS2::FCIprotected
CGoperator(const double alpha, const double beta, const double eta, double *in, double *temp, double *out) const CheMPS2::FCIprotected
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::FCIstatic
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::FCIprotected
DiagHamSquared(double *output) const CheMPS2::FCIprotected
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::FCIprotectedstatic
FCIdcopy(const unsigned int vecLength, double *origin, double *target)CheMPS2::FCIprotectedstatic
FCIddot(const unsigned int vecLength, double *vec1, double *vec2)CheMPS2::FCIprotectedstatic
FCIdscal(const unsigned int vecLength, const double alpha, double *vec)CheMPS2::FCIprotectedstatic
FCIfrobeniusnorm(const unsigned int vecLength, double *vec)CheMPS2::FCIprotectedstatic
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::FCIstatic
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::FCIprotected
getEconst() const CheMPS2::FCIinline
getERI(const int orb1, const int orb2, const int orb3, const int orb4) const CheMPS2::FCIinline
getFCIcoeff(int *bits_up, int *bits_down, double *vector) const CheMPS2::FCI
getGmat(const int orb1, const int orb2) const CheMPS2::FCIinline
getL() const CheMPS2::FCIinline
GetMatrixElement(int *bits_bra_up, int *bits_bra_down, int *bits_ket_up, int *bits_ket_down, int *work) const CheMPS2::FCIprotected
getNel_down() const CheMPS2::FCIinline
getNel_up() const CheMPS2::FCIinline
getOrb2Irrep(const int orb) const CheMPS2::FCIinline
getTargetIrrep() const CheMPS2::FCIinline
getUpIrrepOfCounter(const int irrep_center, const unsigned int counter) const CheMPS2::FCIprotected
getVecLength(const int irrep_center) const CheMPS2::FCIinline
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::FCIprotected
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::FCIprotectedstatic
~FCI()CheMPS2::FCIvirtual