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psi::dfoccwave::Tensor2d Class Reference

#include <tensors.h>

Public Member Functions

 Tensor2d (int d1, int d2)
 
 Tensor2d (std::string name, int d1, int d2)
 
 Tensor2d (psi::PSIO *psio, size_t fileno, std::string name, int d1, int d2)
 
 Tensor2d (std::shared_ptr< psi::PSIO > psio, size_t fileno, std::string name, int d1, int d2)
 
 Tensor2d (psi::PSIO &psio, size_t fileno, std::string name, int d1, int d2)
 
 Tensor2d (std::string name, int d1, int d2, int d3, int d4)
 
 Tensor2d (std::string name, int d1, int d2, int d3)
 
 Tensor2d ()
 
 ~Tensor2d ()
 
void init (std::string name, int d1, int d2)
 
void init (int d1, int d2)
 
void memalloc ()
 
void zero ()
 
void zero_diagonal ()
 
void zero_off_diagonal ()
 
void print ()
 
void print (std::string out_fname)
 
void print (const char *outfile)
 
void print (FILE *out)
 
void release ()
 
void set (int i, int j, double value)
 
void set (double **A)
 
void set (double *A)
 
void set (SharedTensor2d &A)
 
void set (SharedMatrix A)
 
void set2 (SharedMatrix A)
 
void set (SharedTensor1d &A)
 
void set_row (const SharedTensor2d &A, int n)
 
void set_column (const SharedTensor2d &A, int n)
 
double get (int i, int j)
 
void get_row (const SharedTensor2d &A, int n)
 
void get_column (const SharedTensor2d &A, int n)
 
void add (const SharedTensor2d &a)
 
void add (double **a)
 
void add (double alpha, const SharedTensor2d &a)
 
void add (int i, int j, double value)
 
void add2row (const SharedTensor2d &A, int n)
 
void add2col (const SharedTensor2d &A, int n)
 
void subtract (const SharedTensor2d &a)
 
void subtract (int i, int j, double value)
 
void axpy (double **a, double alpha)
 
void axpy (const SharedTensor2d &a, double alpha)
 
void axpy (size_t length, int inc_a, const SharedTensor2d &a, int inc_2d, double alpha)
 
void axpy (size_t length, int start_a, int inc_a, const SharedTensor2d &A, int start_2d, int inc_2d, double alpha)
 
double ** transpose2 ()
 
SharedTensor2d transpose ()
 
void trans (const SharedTensor2d &A)
 
void trans (double **A)
 
void copy (double **a)
 
void copy (const SharedTensor2d &Adum)
 
void copy (size_t length, const SharedTensor2d &A, int inc_a, int inc_2d)
 
void copy (const SharedTensor2d &A, int start)
 
void pcopy (const SharedTensor2d &A, int dim_copy, int dim_skip)
 
void pcopy (const SharedTensor2d &A, int dim_copy, int dim_skip, int start)
 
double get_max_element ()
 
void diagonalize (const SharedTensor2d &eigvectors, const SharedTensor1d &eigvalues, double cutoff)
 
void cdsyev (char jobz, char uplo, const SharedTensor2d &eigvectors, const SharedTensor1d &eigvalues)
 
void davidson (int n_eigval, const SharedTensor2d &eigvectors, const SharedTensor1d &eigvalues, double cutoff, int print)
 
void cdgesv (const SharedTensor1d &Xvec)
 
void cdgesv (double *Xvec)
 
void cdgesv (const SharedTensor1d &Xvec, int errcod)
 
void cdgesv (double *Xvec, int errcod)
 
void lineq_flin (const SharedTensor1d &Xvec, double *det)
 
void lineq_flin (double *Xvec, double *det)
 
void lineq_pople (const SharedTensor1d &Xvec, int num_vecs, double cutoff)
 
void lineq_pople (double *Xvec, int num_vecs, double cutoff)
 
void gemm (bool transa, bool transb, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract (bool transa, bool transb, int m, int n, int k, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract (bool transa, bool transb, int m, int n, int k, const SharedTensor2d &a, const SharedTensor2d &b, int start_a, int start_b, double alpha, double beta)
 
void contract (bool transa, bool transb, int m, int n, int k, const SharedTensor2d &a, const SharedTensor2d &b, int start_a, int start_b, int start_c, double alpha, double beta)
 
void contract323 (bool transa, bool transb, int m, int n, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract233 (bool transa, bool transb, int m, int n, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract332 (bool transa, bool transb, int k, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract424 (int target_x, int target_y, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void contract442 (int target_a, int target_b, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void gemv (bool transa, const SharedTensor2d &a, const SharedTensor1d &b, double alpha, double beta)
 
void gemv (bool transa, const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
void level_shift (double value)
 
void outer_product (const SharedTensor1d &x, const SharedTensor1d &y)
 
void scale (double a)
 
void scale_row (int m, double a)
 
void scale_column (int n, double a)
 
void identity ()
 
double trace ()
 
double norm ()
 
void transform (const SharedTensor2d &a, const SharedTensor2d &transformer)
 
void back_transform (const SharedTensor2d &a, const SharedTensor2d &transformer)
 
void back_transform (const SharedTensor2d &a, const SharedTensor2d &transformer, double alpha, double beta)
 
void pseudo_transform (const SharedTensor2d &a, const SharedTensor2d &transformer)
 
void triple_gemm (const SharedTensor2d &a, const SharedTensor2d &b, const SharedTensor2d &c)
 
double vector_dot (const SharedTensor2d &rhs)
 
double vector_dot (double **rhs)
 
double ** to_block_matrix ()
 
double * to_lower_triangle ()
 
void to_shared_matrix (SharedMatrix A)
 
void to_matrix (SharedMatrix A)
 
void to_pointer (double *A)
 
void mgs ()
 
void gs ()
 
double * row_vector (int n)
 
double * column_vector (int n)
 
int dim1 () const
 
int dim2 () const
 
void write (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void write (std::shared_ptr< psi::PSIO > psio, size_t fileno, psio_address start, psio_address *end)
 
void write (psi::PSIO *const psio, size_t fileno)
 
void write (psi::PSIO *psio, size_t fileno, psio_address start, psio_address *end)
 
void write (psi::PSIO &psio, size_t fileno)
 
void write (psi::PSIO &psio, size_t fileno, psio_address start, psio_address *end)
 
void write (std::shared_ptr< psi::PSIO > psio, const std::string &filename, size_t fileno)
 
void write (std::shared_ptr< psi::PSIO > psio, size_t fileno, bool three_index, bool symm)
 
void write (std::shared_ptr< psi::PSIO > psio, const std::string &filename, size_t fileno, bool three_index, bool symm)
 
void write_symm (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void write_anti_symm (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void read (psi::PSIO *psio, size_t fileno)
 
void read (psi::PSIO *psio, size_t fileno, psio_address start, psio_address *end)
 
void read (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void read (std::shared_ptr< psi::PSIO > psio, size_t fileno, psio_address start, psio_address *end)
 
void read (psi::PSIO &psio, size_t fileno)
 
void read (psi::PSIO &psio, size_t fileno, psio_address start, psio_address *end)
 
void read (std::shared_ptr< psi::PSIO > psio, size_t fileno, bool three_index, bool symm)
 
void read_symm (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void read_anti_symm (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
bool read (PSIO *psio, int itap, const char *label, int dim)
 
bool read (std::shared_ptr< psi::PSIO > psio, int itap, const char *label, int dim)
 
void save (std::shared_ptr< psi::PSIO > psio, size_t fileno)
 
void save (psi::PSIO *const psio, size_t fileno)
 
void save (psi::PSIO &psio, size_t fileno)
 
void load (std::shared_ptr< psi::PSIO > psio, size_t fileno, std::string name, int d1, int d2)
 
void load (psi::PSIO *const psio, size_t fileno, std::string name, int d1, int d2)
 
void load (psi::PSIO &psio, size_t fileno, std::string name, int d1, int d2)
 
void mywrite (const std::string &filename)
 
void mywrite (int fileno)
 
void mywrite (int fileno, bool append)
 
void myread (const std::string &filename)
 
void myread (int fileno)
 
void myread (int fileno, bool append)
 
void myread (int fileno, size_t start)
 
void sort (int sort_type, const SharedTensor2d &A, double alpha, double beta)
 
void sort3a (int sort_type, int d1, int d2, int d3, const SharedTensor2d &A, double alpha, double beta)
 
void sort3b (int sort_type, int d1, int d2, int d3, const SharedTensor2d &A, double alpha, double beta)
 
void apply_denom (int frzc, int occ, const SharedTensor2d &fock)
 
void apply_denom_os (int frzc, int occA, int occB, const SharedTensor2d &fockA, const SharedTensor2d &fockB)
 
void apply_denom_chem (int frzc, int occ, const SharedTensor2d &fock)
 
void reg_denom (int frzc, int occ, const SharedTensor2d &fock, double reg)
 
void reg_denom_os (int frzc, int occA, int occB, const SharedTensor2d &fockA, const SharedTensor2d &fockB, double reg)
 
void reg_denom_chem (int frzc, int occ, const SharedTensor2d &fock, double reg)
 
void dirprd (const SharedTensor2d &a, const SharedTensor2d &b)
 
void dirprd123 (const SharedTensor1d &a, const SharedTensor2d &b, double alpha, double beta)
 
void dirprd123 (bool transb, const SharedTensor1d &a, const SharedTensor2d &b, double alpha, double beta)
 
void dirprd112 (const SharedTensor1d &a, const SharedTensor1d &b)
 
void dirprd112 (const SharedTensor1d &a, const SharedTensor1d &b, double alpha, double beta)
 
void dirprd224 (const SharedTensor2d &a, const SharedTensor2d &b)
 
void dirprd224 (const SharedTensor2d &a, const SharedTensor2d &b, double alpha, double beta)
 
double * to_vector (const SharedTensor2i &pair_idx)
 
double * to_vector ()
 
double rms ()
 
double rms (const SharedTensor2d &a)
 
void set_act_oo (int aocc, const SharedTensor2d &a)
 
void set_act_oo (int frzc, int aocc, const SharedTensor2d &a)
 
void set_act_vv (int occ, int avir, const SharedTensor2d &A)
 
void set_act_vv (const SharedTensor2d &A)
 
void set_oo (const SharedTensor2d &a)
 
void set_ov (const SharedTensor2d &A)
 
void set_vo (const SharedTensor2d &A)
 
void set_vv (int occ, const SharedTensor2d &A)
 
void set_act_ov (int frzc, const SharedTensor2d &A)
 
void set_act_vo (int frzc, const SharedTensor2d &A)
 
void add_oo (const SharedTensor2d &A, double alpha, double beta)
 
void add_vv (int occ, const SharedTensor2d &A, double alpha, double beta)
 
void add_ov (const SharedTensor2d &A, double alpha, double beta)
 
void add_vo (const SharedTensor2d &A, double alpha, double beta)
 
void add_aocc_fc (const SharedTensor2d &A, double alpha, double beta)
 
void add_fc_aocc (const SharedTensor2d &A, double alpha, double beta)
 
void add3_oo (const SharedTensor2d &A, double alpha, double beta)
 
void set3_oo (const SharedTensor2d &A)
 
void set3_ov (const SharedTensor2d &A)
 
void set3_vo (const SharedTensor2d &A)
 
void set3_vv (const SharedTensor2d &A, int occ)
 
void set3_act_ov (int frzc, int aocc, int avir, int vir, const SharedTensor2d &a)
 
void set3_act_oo (int frzc, const SharedTensor2d &A)
 
void set3_act_vv (const SharedTensor2d &A)
 
void swap_3index_col (const SharedTensor2d &A)
 
void form_oo (const SharedTensor2d &A)
 
void form_act_oo (int frzc, const SharedTensor2d &A)
 
void form_vv (int occ, const SharedTensor2d &A)
 
void form_act_vv (int occ, const SharedTensor2d &A)
 
void form_vo (const SharedTensor2d &A)
 
void form_vo (int occ, const SharedTensor2d &A)
 
void form_act_vo (int frzc, const SharedTensor2d &A)
 
void form_act_vo (int frzc, int occ, const SharedTensor2d &A)
 
void form_ov (const SharedTensor2d &A)
 
void form_ov (int occ, const SharedTensor2d &A)
 
void form_act_ov (int frzc, const SharedTensor2d &A)
 
void form_act_ov (int frzc, int occ, const SharedTensor2d &A)
 
void form_ooAB (const SharedTensor2d &A)
 
void form_b_ij (int frzc, const SharedTensor2d &A)
 
void form_b_ia (int frzc, const SharedTensor2d &A)
 
void form_b_ab (const SharedTensor2d &A)
 
void form_b_kl (const SharedTensor2d &A)
 
void form_b_ki (const SharedTensor2d &A)
 
void form_b_li (const SharedTensor2d &A)
 
void form_b_il (const SharedTensor2d &A)
 
void form_b_ka (const SharedTensor2d &A)
 
void form_b_la (const SharedTensor2d &A)
 
void symmetrize ()
 
void symmetrize (const SharedTensor2d &A)
 
void symmetrize3 (const SharedTensor2d &A)
 
void symm_packed (const SharedTensor2d &A)
 
void ltm (const SharedTensor2d &A)
 
void expand23 (int d1, int d2, int d3, const SharedTensor2d &A)
 
void symm4 (const SharedTensor2d &a)
 
void antisymm4 (const SharedTensor2d &a)
 
void symm_col4 (const SharedTensor2d &a)
 
void antisymm_col4 (const SharedTensor2d &a)
 
void symm_row_packed4 (const SharedTensor2d &a)
 
void symm_col_packed4 (const SharedTensor2d &a)
 
void antisymm_row_packed4 (const SharedTensor2d &a)
 
void antisymm_col_packed4 (const SharedTensor2d &a)
 
void tei_cs1_anti_symm (const SharedTensor2d &J, const SharedTensor2d &K)
 
void tei_cs2_anti_symm (const SharedTensor2d &J, const SharedTensor2d &K)
 
void tei_cs3_anti_symm (const SharedTensor2d &J, const SharedTensor2d &K)
 
void tei_cs4_anti_symm (const SharedTensor2d &J, const SharedTensor2d &K)
 
void P_ijab (const SharedTensor2d &A)
 
void cont444 (int t_a1, int t_a2, int f_a1, int f_a2, const SharedTensor2d &A, int t_b1, int t_b2, int f_b1, int f_b2, const SharedTensor2d &B, double alpha, double beta)
 
void cont444 (bool delete_a, int t_a1, int t_a2, int f_a1, int f_a2, SharedTensor2d &A, bool delete_b, int t_b1, int t_b2, int f_b1, int f_b2, SharedTensor2d &B, double alpha, double beta)
 
void cont444 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_a, bool delete_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont444 (std::string idx_c, std::string idx_a, std::string idx_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont442 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_a, bool delete_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont424 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_a, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont244 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont343 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont233 (std::string idx_c, std::string idx_a, std::string idx_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont323 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_a, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 
void cont332 (std::string idx_c, std::string idx_a, std::string idx_b, bool delete_a, bool delete_b, SharedTensor2d &A, SharedTensor2d &B, double alpha, double beta)
 

Private Attributes

double ** A2d_
 
int dim1_
 
int dim2_
 
int d1_
 
int d2_
 
int d3_
 
int d4_
 
int ** row_idx_
 
int ** col_idx_
 
int * row2d1_
 
int * row2d2_
 
int * col2d1_
 
int * col2d2_
 
std::string name_
 

Friends

class Tensor1d
 
class Tensor3d
 
class Tensor1i
 
class Tensor2i
 

Constructor & Destructor Documentation

psi::dfoccwave::Tensor2d::Tensor2d ( int  d1,
int  d2 
)
psi::dfoccwave::Tensor2d::Tensor2d ( std::string  name,
int  d1,
int  d2 
)
psi::dfoccwave::Tensor2d::Tensor2d ( psi::PSIO psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
psi::dfoccwave::Tensor2d::Tensor2d ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
psi::dfoccwave::Tensor2d::Tensor2d ( psi::PSIO psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
psi::dfoccwave::Tensor2d::Tensor2d ( std::string  name,
int  d1,
int  d2,
int  d3,
int  d4 
)
psi::dfoccwave::Tensor2d::Tensor2d ( std::string  name,
int  d1,
int  d2,
int  d3 
)
psi::dfoccwave::Tensor2d::Tensor2d ( )
psi::dfoccwave::Tensor2d::~Tensor2d ( )

Member Function Documentation

void psi::dfoccwave::Tensor2d::add ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::add ( double **  a)
void psi::dfoccwave::Tensor2d::add ( double  alpha,
const SharedTensor2d a 
)
void psi::dfoccwave::Tensor2d::add ( int  i,
int  j,
double  value 
)
void psi::dfoccwave::Tensor2d::add2col ( const SharedTensor2d A,
int  n 
)
void psi::dfoccwave::Tensor2d::add2row ( const SharedTensor2d A,
int  n 
)
void psi::dfoccwave::Tensor2d::add3_oo ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_aocc_fc ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_fc_aocc ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_oo ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_ov ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_vo ( const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::add_vv ( int  occ,
const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::antisymm4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::antisymm_col4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::antisymm_col_packed4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::antisymm_row_packed4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::apply_denom ( int  frzc,
int  occ,
const SharedTensor2d fock 
)
void psi::dfoccwave::Tensor2d::apply_denom_chem ( int  frzc,
int  occ,
const SharedTensor2d fock 
)
void psi::dfoccwave::Tensor2d::apply_denom_os ( int  frzc,
int  occA,
int  occB,
const SharedTensor2d fockA,
const SharedTensor2d fockB 
)
void psi::dfoccwave::Tensor2d::axpy ( double **  a,
double  alpha 
)
void psi::dfoccwave::Tensor2d::axpy ( const SharedTensor2d a,
double  alpha 
)
void psi::dfoccwave::Tensor2d::axpy ( size_t  length,
int  inc_a,
const SharedTensor2d a,
int  inc_2d,
double  alpha 
)
void psi::dfoccwave::Tensor2d::axpy ( size_t  length,
int  start_a,
int  inc_a,
const SharedTensor2d A,
int  start_2d,
int  inc_2d,
double  alpha 
)
void psi::dfoccwave::Tensor2d::back_transform ( const SharedTensor2d a,
const SharedTensor2d transformer 
)
void psi::dfoccwave::Tensor2d::back_transform ( const SharedTensor2d a,
const SharedTensor2d transformer,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cdgesv ( const SharedTensor1d Xvec)
void psi::dfoccwave::Tensor2d::cdgesv ( double *  Xvec)
void psi::dfoccwave::Tensor2d::cdgesv ( const SharedTensor1d Xvec,
int  errcod 
)
void psi::dfoccwave::Tensor2d::cdgesv ( double *  Xvec,
int  errcod 
)
void psi::dfoccwave::Tensor2d::cdsyev ( char  jobz,
char  uplo,
const SharedTensor2d eigvectors,
const SharedTensor1d eigvalues 
)
double * psi::dfoccwave::Tensor2d::column_vector ( int  n)
void psi::dfoccwave::Tensor2d::cont233 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont244 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont323 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_a,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont332 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_a,
bool  delete_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont343 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont424 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_a,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont442 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_a,
bool  delete_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont444 ( int  t_a1,
int  t_a2,
int  f_a1,
int  f_a2,
const SharedTensor2d A,
int  t_b1,
int  t_b2,
int  f_b1,
int  f_b2,
const SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont444 ( bool  delete_a,
int  t_a1,
int  t_a2,
int  f_a1,
int  f_a2,
SharedTensor2d A,
bool  delete_b,
int  t_b1,
int  t_b2,
int  f_b1,
int  f_b2,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont444 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
bool  delete_a,
bool  delete_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::cont444 ( std::string  idx_c,
std::string  idx_a,
std::string  idx_b,
SharedTensor2d A,
SharedTensor2d B,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract ( bool  transa,
bool  transb,
int  m,
int  n,
int  k,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract ( bool  transa,
bool  transb,
int  m,
int  n,
int  k,
const SharedTensor2d a,
const SharedTensor2d b,
int  start_a,
int  start_b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract ( bool  transa,
bool  transb,
int  m,
int  n,
int  k,
const SharedTensor2d a,
const SharedTensor2d b,
int  start_a,
int  start_b,
int  start_c,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract233 ( bool  transa,
bool  transb,
int  m,
int  n,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract323 ( bool  transa,
bool  transb,
int  m,
int  n,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract332 ( bool  transa,
bool  transb,
int  k,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract424 ( int  target_x,
int  target_y,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::contract442 ( int  target_a,
int  target_b,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::copy ( double **  a)
void psi::dfoccwave::Tensor2d::copy ( const SharedTensor2d Adum)
void psi::dfoccwave::Tensor2d::copy ( size_t  length,
const SharedTensor2d A,
int  inc_a,
int  inc_2d 
)
void psi::dfoccwave::Tensor2d::copy ( const SharedTensor2d A,
int  start 
)
void psi::dfoccwave::Tensor2d::davidson ( int  n_eigval,
const SharedTensor2d eigvectors,
const SharedTensor1d eigvalues,
double  cutoff,
int  print 
)
void psi::dfoccwave::Tensor2d::diagonalize ( const SharedTensor2d eigvectors,
const SharedTensor1d eigvalues,
double  cutoff 
)
int psi::dfoccwave::Tensor2d::dim1 ( ) const
inline
int psi::dfoccwave::Tensor2d::dim2 ( ) const
inline
void psi::dfoccwave::Tensor2d::dirprd ( const SharedTensor2d a,
const SharedTensor2d b 
)
void psi::dfoccwave::Tensor2d::dirprd112 ( const SharedTensor1d a,
const SharedTensor1d b 
)
void psi::dfoccwave::Tensor2d::dirprd112 ( const SharedTensor1d a,
const SharedTensor1d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::dirprd123 ( const SharedTensor1d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::dirprd123 ( bool  transb,
const SharedTensor1d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::dirprd224 ( const SharedTensor2d a,
const SharedTensor2d b 
)
void psi::dfoccwave::Tensor2d::dirprd224 ( const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::expand23 ( int  d1,
int  d2,
int  d3,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_oo ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_ov ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_ov ( int  frzc,
int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_vo ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_vo ( int  frzc,
int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_act_vv ( int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_b_ab ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_ia ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_b_ij ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_b_il ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_ka ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_ki ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_kl ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_la ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_b_li ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_oo ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_ooAB ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_ov ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_ov ( int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_vo ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::form_vo ( int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::form_vv ( int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::gemm ( bool  transa,
bool  transb,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::gemv ( bool  transa,
const SharedTensor2d a,
const SharedTensor1d b,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::gemv ( bool  transa,
const SharedTensor2d a,
const SharedTensor2d b,
double  alpha,
double  beta 
)
double psi::dfoccwave::Tensor2d::get ( int  i,
int  j 
)
void psi::dfoccwave::Tensor2d::get_column ( const SharedTensor2d A,
int  n 
)
double psi::dfoccwave::Tensor2d::get_max_element ( )
void psi::dfoccwave::Tensor2d::get_row ( const SharedTensor2d A,
int  n 
)
void psi::dfoccwave::Tensor2d::gs ( )
void psi::dfoccwave::Tensor2d::identity ( )
void psi::dfoccwave::Tensor2d::init ( std::string  name,
int  d1,
int  d2 
)
void psi::dfoccwave::Tensor2d::init ( int  d1,
int  d2 
)
void psi::dfoccwave::Tensor2d::level_shift ( double  value)
void psi::dfoccwave::Tensor2d::lineq_flin ( const SharedTensor1d Xvec,
double *  det 
)
void psi::dfoccwave::Tensor2d::lineq_flin ( double *  Xvec,
double *  det 
)
void psi::dfoccwave::Tensor2d::lineq_pople ( const SharedTensor1d Xvec,
int  num_vecs,
double  cutoff 
)
void psi::dfoccwave::Tensor2d::lineq_pople ( double *  Xvec,
int  num_vecs,
double  cutoff 
)
void psi::dfoccwave::Tensor2d::load ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
void psi::dfoccwave::Tensor2d::load ( psi::PSIO *const  psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
void psi::dfoccwave::Tensor2d::load ( psi::PSIO psio,
size_t  fileno,
std::string  name,
int  d1,
int  d2 
)
void psi::dfoccwave::Tensor2d::ltm ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::memalloc ( )
void psi::dfoccwave::Tensor2d::mgs ( )
void psi::dfoccwave::Tensor2d::myread ( const std::string &  filename)
void psi::dfoccwave::Tensor2d::myread ( int  fileno)
void psi::dfoccwave::Tensor2d::myread ( int  fileno,
bool  append 
)
void psi::dfoccwave::Tensor2d::myread ( int  fileno,
size_t  start 
)
void psi::dfoccwave::Tensor2d::mywrite ( const std::string &  filename)
void psi::dfoccwave::Tensor2d::mywrite ( int  fileno)
void psi::dfoccwave::Tensor2d::mywrite ( int  fileno,
bool  append 
)
double psi::dfoccwave::Tensor2d::norm ( )
void psi::dfoccwave::Tensor2d::outer_product ( const SharedTensor1d x,
const SharedTensor1d y 
)
void psi::dfoccwave::Tensor2d::P_ijab ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::pcopy ( const SharedTensor2d A,
int  dim_copy,
int  dim_skip 
)
void psi::dfoccwave::Tensor2d::pcopy ( const SharedTensor2d A,
int  dim_copy,
int  dim_skip,
int  start 
)
void psi::dfoccwave::Tensor2d::print ( void  )
void psi::dfoccwave::Tensor2d::print ( std::string  out_fname)
void psi::dfoccwave::Tensor2d::print ( const char *  outfile)
void psi::dfoccwave::Tensor2d::print ( FILE *  out)
void psi::dfoccwave::Tensor2d::pseudo_transform ( const SharedTensor2d a,
const SharedTensor2d transformer 
)
void psi::dfoccwave::Tensor2d::read ( psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::read ( psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::read ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::read ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::read ( psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::read ( psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::read ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
bool  three_index,
bool  symm 
)
bool psi::dfoccwave::Tensor2d::read ( PSIO psio,
int  itap,
const char *  label,
int  dim 
)
bool psi::dfoccwave::Tensor2d::read ( std::shared_ptr< psi::PSIO psio,
int  itap,
const char *  label,
int  dim 
)
void psi::dfoccwave::Tensor2d::read_anti_symm ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::read_symm ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::reg_denom ( int  frzc,
int  occ,
const SharedTensor2d fock,
double  reg 
)
void psi::dfoccwave::Tensor2d::reg_denom_chem ( int  frzc,
int  occ,
const SharedTensor2d fock,
double  reg 
)
void psi::dfoccwave::Tensor2d::reg_denom_os ( int  frzc,
int  occA,
int  occB,
const SharedTensor2d fockA,
const SharedTensor2d fockB,
double  reg 
)
void psi::dfoccwave::Tensor2d::release ( )
double psi::dfoccwave::Tensor2d::rms ( )
double psi::dfoccwave::Tensor2d::rms ( const SharedTensor2d a)
double * psi::dfoccwave::Tensor2d::row_vector ( int  n)
void psi::dfoccwave::Tensor2d::save ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::save ( psi::PSIO *const  psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::save ( psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::scale ( double  a)
void psi::dfoccwave::Tensor2d::scale_column ( int  n,
double  a 
)
void psi::dfoccwave::Tensor2d::scale_row ( int  m,
double  a 
)
void psi::dfoccwave::Tensor2d::set ( int  i,
int  j,
double  value 
)
void psi::dfoccwave::Tensor2d::set ( double **  A)
void psi::dfoccwave::Tensor2d::set ( double *  A)
void psi::dfoccwave::Tensor2d::set ( SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set ( SharedMatrix  A)
void psi::dfoccwave::Tensor2d::set ( SharedTensor1d A)
void psi::dfoccwave::Tensor2d::set2 ( SharedMatrix  A)
void psi::dfoccwave::Tensor2d::set3_act_oo ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::set3_act_ov ( int  frzc,
int  aocc,
int  avir,
int  vir,
const SharedTensor2d a 
)
void psi::dfoccwave::Tensor2d::set3_act_vv ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set3_oo ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set3_ov ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set3_vo ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set3_vv ( const SharedTensor2d A,
int  occ 
)
void psi::dfoccwave::Tensor2d::set_act_oo ( int  aocc,
const SharedTensor2d a 
)
void psi::dfoccwave::Tensor2d::set_act_oo ( int  frzc,
int  aocc,
const SharedTensor2d a 
)
void psi::dfoccwave::Tensor2d::set_act_ov ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::set_act_vo ( int  frzc,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::set_act_vv ( int  occ,
int  avir,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::set_act_vv ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set_column ( const SharedTensor2d A,
int  n 
)
void psi::dfoccwave::Tensor2d::set_oo ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::set_ov ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set_row ( const SharedTensor2d A,
int  n 
)
void psi::dfoccwave::Tensor2d::set_vo ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::set_vv ( int  occ,
const SharedTensor2d A 
)
void psi::dfoccwave::Tensor2d::sort ( int  sort_type,
const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::sort3a ( int  sort_type,
int  d1,
int  d2,
int  d3,
const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::sort3b ( int  sort_type,
int  d1,
int  d2,
int  d3,
const SharedTensor2d A,
double  alpha,
double  beta 
)
void psi::dfoccwave::Tensor2d::subtract ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::subtract ( int  i,
int  j,
double  value 
)
void psi::dfoccwave::Tensor2d::swap_3index_col ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::symm4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::symm_col4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::symm_col_packed4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::symm_packed ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::symm_row_packed4 ( const SharedTensor2d a)
void psi::dfoccwave::Tensor2d::symmetrize ( )
void psi::dfoccwave::Tensor2d::symmetrize ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::symmetrize3 ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::tei_cs1_anti_symm ( const SharedTensor2d J,
const SharedTensor2d K 
)
void psi::dfoccwave::Tensor2d::tei_cs2_anti_symm ( const SharedTensor2d J,
const SharedTensor2d K 
)
void psi::dfoccwave::Tensor2d::tei_cs3_anti_symm ( const SharedTensor2d J,
const SharedTensor2d K 
)
void psi::dfoccwave::Tensor2d::tei_cs4_anti_symm ( const SharedTensor2d J,
const SharedTensor2d K 
)
double ** psi::dfoccwave::Tensor2d::to_block_matrix ( )
double * psi::dfoccwave::Tensor2d::to_lower_triangle ( )
void psi::dfoccwave::Tensor2d::to_matrix ( SharedMatrix  A)
void psi::dfoccwave::Tensor2d::to_pointer ( double *  A)
void psi::dfoccwave::Tensor2d::to_shared_matrix ( SharedMatrix  A)
double * psi::dfoccwave::Tensor2d::to_vector ( const SharedTensor2i pair_idx)
double * psi::dfoccwave::Tensor2d::to_vector ( )
double psi::dfoccwave::Tensor2d::trace ( )
void psi::dfoccwave::Tensor2d::trans ( const SharedTensor2d A)
void psi::dfoccwave::Tensor2d::trans ( double **  A)
void psi::dfoccwave::Tensor2d::transform ( const SharedTensor2d a,
const SharedTensor2d transformer 
)
SharedTensor2d psi::dfoccwave::Tensor2d::transpose ( )
double ** psi::dfoccwave::Tensor2d::transpose2 ( )
void psi::dfoccwave::Tensor2d::triple_gemm ( const SharedTensor2d a,
const SharedTensor2d b,
const SharedTensor2d c 
)
double psi::dfoccwave::Tensor2d::vector_dot ( const SharedTensor2d rhs)
double psi::dfoccwave::Tensor2d::vector_dot ( double **  rhs)
void psi::dfoccwave::Tensor2d::write ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::write ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::write ( psi::PSIO *const  psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::write ( psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::write ( psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::write ( psi::PSIO psio,
size_t  fileno,
psio_address  start,
psio_address end 
)
void psi::dfoccwave::Tensor2d::write ( std::shared_ptr< psi::PSIO psio,
const std::string &  filename,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::write ( std::shared_ptr< psi::PSIO psio,
size_t  fileno,
bool  three_index,
bool  symm 
)
void psi::dfoccwave::Tensor2d::write ( std::shared_ptr< psi::PSIO psio,
const std::string &  filename,
size_t  fileno,
bool  three_index,
bool  symm 
)
void psi::dfoccwave::Tensor2d::write_anti_symm ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::write_symm ( std::shared_ptr< psi::PSIO psio,
size_t  fileno 
)
void psi::dfoccwave::Tensor2d::zero ( void  )
void psi::dfoccwave::Tensor2d::zero_diagonal ( )
void psi::dfoccwave::Tensor2d::zero_off_diagonal ( )

Friends And Related Function Documentation

friend class Tensor1d
friend
friend class Tensor1i
friend
friend class Tensor2i
friend
friend class Tensor3d
friend

Member Data Documentation

double** psi::dfoccwave::Tensor2d::A2d_
private
int * psi::dfoccwave::Tensor2d::col2d1_
private
int * psi::dfoccwave::Tensor2d::col2d2_
private
int ** psi::dfoccwave::Tensor2d::col_idx_
private
int psi::dfoccwave::Tensor2d::d1_
private
int psi::dfoccwave::Tensor2d::d2_
private
int psi::dfoccwave::Tensor2d::d3_
private
int psi::dfoccwave::Tensor2d::d4_
private
int psi::dfoccwave::Tensor2d::dim1_
private
int psi::dfoccwave::Tensor2d::dim2_
private
std::string psi::dfoccwave::Tensor2d::name_
private
int* psi::dfoccwave::Tensor2d::row2d1_
private
int * psi::dfoccwave::Tensor2d::row2d2_
private
int** psi::dfoccwave::Tensor2d::row_idx_
private

The documentation for this class was generated from the following files: