Psi4
Namespaces | Functions
psimath.cc File Reference
#include "psi4/libqt/qt.h"
#include "psi4/libmints/matrix.h"
#include "psi4/libmints/vector.h"
#include "psi4/psi4-dec.h"
#include "psi4/libmints/psimath.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 

Functions

void psi::PSI_DGBMV (int irrep, char trans, int m, int n, int kl, int ku, double alpha, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx, double beta, std::shared_ptr< Vector > y, int incy)
 PSI_DGBMV, a wrapper to C_DGBMV using objects. More...
 
void psi::PSI_DGEMM (int irrep, char transa, char transb, int m, int n, int k, double alpha, SharedMatrix a, int lda, SharedMatrix b, int ldb, double beta, SharedMatrix c, int ldc)
 PSI_DGEMM, a wrapper to C_DGEMM using objects. More...
 
void psi::PSI_DGEMV (int irrep, char trans, int m, int n, double alpha, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx, double beta, std::shared_ptr< Vector > y, int incy)
 PSI_DGEMV, a wrapper to C_DGEMV using objects. More...
 
void psi::PSI_DGER (int irrep, int m, int n, double alpha, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy, SharedMatrix a, int lda)
 PSI_DGER, a wrapper to C_DGER using objects. More...
 
void psi::PSI_DSBMV (int irrep, char uplo, int n, int k, double alpha, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx, double beta, std::shared_ptr< Vector > y, int incy)
 PSI_DSBMV, a wrapper to C_DSBMV using objects. More...
 
void psi::PSI_DSYMM (int irrep, char side, char uplo, int m, int n, double alpha, SharedMatrix a, int lda, SharedMatrix b, int ldb, double beta, SharedMatrix c, int ldc)
 PSI_DSYMM, a wrapper to C_DSYMM using objects. More...
 
void psi::PSI_DSYMV (int irrep, char uplo, int n, double alpha, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx, double beta, std::shared_ptr< Vector > y, int incy)
 PSI_DSYMV, a wrapper to C_DSYMV using objects. More...
 
void psi::PSI_DSYR (int irrep, char uplo, int n, double alpha, std::shared_ptr< Vector > x, int incx, SharedMatrix a, int lda)
 PSI_DSYR, a wrapper to C_DSYR using objects. More...
 
void psi::PSI_DSYR2 (int irrep, char uplo, int n, double alpha, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy, SharedMatrix a, int lda)
 PSI_DSYR2, a wrapper to C_DSYR2 using objects. More...
 
void psi::PSI_DSYR2K (int irrep, char uplo, char trans, int n, int k, double alpha, SharedMatrix a, int lda, SharedMatrix b, int ldb, double beta, SharedMatrix c, int ldc)
 PSI_DSYR2K, a wrapper to C_DSYR2K using objects. More...
 
void psi::PSI_DSYRK (int irrep, char uplo, char trans, int n, int k, double alpha, SharedMatrix a, int lda, double beta, SharedMatrix c, int ldc)
 PSI_DSYRK, a wrapper to C_DSYRK using objects. More...
 
void psi::PSI_DTBMV (int irrep, char uplo, char trans, char diag, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx)
 PSI_DTBMV, a wrapper to C_DTBMV using objects. More...
 
void psi::PSI_DTBSV (int irrep, char uplo, char trans, char diag, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx)
 PSI_DTBSV, a wrapper to C_DTBSV using objects. More...
 
void psi::PSI_DTRMM (int irrep, char side, char uplo, char transa, char diag, int m, int n, double alpha, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DTRMM, a wrapper to C_DTRMM using objects. More...
 
void psi::PSI_DTRMV (int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx)
 PSI_DTRMV, a wrapper to C_DTRMV using objects. More...
 
void psi::PSI_DTRSM (int irrep, char side, char uplo, char transa, char diag, int m, int n, double alpha, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DTRSM, a wrapper to C_DTRSM using objects. More...
 
void psi::PSI_DTRSV (int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > x, int incx)
 PSI_DTRSV, a wrapper to C_DTRSV using objects. More...
 
void psi::PSI_DROT (int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy, double c, double s)
 PSI_DROT, a wrapper to C_DROT using objects. More...
 
void psi::PSI_DSWAP (int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
 PSI_DSWAP, a wrapper to C_DSWAP using objects. More...
 
void psi::PSI_DCOPY (int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
 PSI_DCOPY, a wrapper to C_DCOPY using objects. More...
 
void psi::PSI_DSCAL (int irrep, size_t n, double alpha, std::shared_ptr< Vector > x, int incx)
 PSI_DSCAL, a wrapper to C_DSCAL using objects. More...
 
void psi::PSI_DAXPY (int irrep, size_t n, double alpha, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
 PSI_DAXPY, a wrapper to C_DAXPY using objects. More...
 
double psi::PSI_DDOT (int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
 PSI_DDOT, a wrapper to C_DDOT using objects. More...
 
double psi::PSI_DNRM2 (int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
 PSI_DNRM2, a wrapper to C_DNRM2 using objects. More...
 
double psi::PSI_DASUM (int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
 PSI_DASUM, a wrapper to C_DASUM using objects. More...
 
size_t psi::PSI_IDAMAX (int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
 PSI_IDAMAX, a wrapper to C_IDAMAX using objects. More...
 
int psi::PSI_DBDSDC (int irrep, char uplo, char compq, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix u, int ldu, SharedMatrix vt, int ldvt, std::shared_ptr< Vector > q, std::shared_ptr< IntVector > iq, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 
int psi::PSI_DBDSQR (int irrep, char uplo, int n, int ncvt, int nru, int ncc, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix vt, int ldvt, SharedMatrix u, int ldu, SharedMatrix c, int ldc, std::shared_ptr< Vector > work)
 PSI_DBDSQR, a wrapper to return C_DBDSQR using objects. More...
 
int psi::PSI_DDISNA (int irrep, char job, int m, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > sep)
 PSI_DDISNA, a wrapper to return C_DDISNA using objects. More...
 
int psi::PSI_DGBBRD (int irrep, char vect, int m, int n, int ncc, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix q, int ldq, SharedMatrix pt, int ldpt, SharedMatrix c, int ldc, std::shared_ptr< Vector > work)
 PSI_DGBBRD, a wrapper to return C_DGBBRD using objects. More...
 
int psi::PSI_DGBCON (int irrep, char norm, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr< IntVector > ipiv, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGBCON, a wrapper to return C_DGBCON using objects. More...
 
int psi::PSI_DGBEQU (int irrep, int m, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr< Vector > r, std::shared_ptr< Vector > c, std::shared_ptr< Vector > rowcnd, std::shared_ptr< Vector > colcnd, std::shared_ptr< Vector > amax)
 PSI_DGBEQU, a wrapper to return C_DGBEQU using objects. More...
 
int psi::PSI_DGBRFS (int irrep, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb, int ldafb, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGBRFS, a wrapper to return C_DGBRFS using objects. More...
 
int psi::PSI_DGBSV (int irrep, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DGBSV, a wrapper to return C_DGBSV using objects. More...
 
int psi::PSI_DGBSVX (int irrep, char fact, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb, int ldafb, std::shared_ptr< IntVector > ipiv, char equed, std::shared_ptr< Vector > r, std::shared_ptr< Vector > c, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGBSVX, a wrapper to return C_DGBSVX using objects. More...
 
int psi::PSI_DGBTRF (int irrep, int m, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr< IntVector > ipiv)
 PSI_DGBTRF, a wrapper to return C_DGBTRF using objects. More...
 
int psi::PSI_DGBTRS (int irrep, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DGBTRS, a wrapper to return C_DGBTRS using objects. More...
 
int psi::PSI_DGEBAK (int irrep, char job, char side, int n, int ilo, int ihi, std::shared_ptr< Vector > scale, int m, SharedMatrix v, int ldv)
 PSI_DGEBAK, a wrapper to return C_DGEBAK using objects. More...
 
int psi::PSI_DGEBAL (int irrep, char job, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ilo, std::shared_ptr< IntVector > ihi, std::shared_ptr< Vector > scale)
 PSI_DGEBAL, a wrapper to return C_DGEBAL using objects. More...
 
int psi::PSI_DGEBRD (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, std::shared_ptr< Vector > tauq, std::shared_ptr< Vector > taup, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEBRD, a wrapper to return C_DGEBRD using objects. More...
 
int psi::PSI_DGECON (int irrep, char norm, int n, SharedMatrix a, int lda, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGECON, a wrapper to return C_DGECON using objects. More...
 
int psi::PSI_DGEEQU (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > r, std::shared_ptr< Vector > c, std::shared_ptr< Vector > rowcnd, std::shared_ptr< Vector > colcnd, std::shared_ptr< Vector > amax)
 PSI_DGEEQU, a wrapper to return C_DGEEQU using objects. More...
 
int psi::PSI_DGEES (int irrep, char jobvs, char sort, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > sdim, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix vs, int ldvs, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEES, a wrapper to return C_DGEES using objects. More...
 
int psi::PSI_DGEESX (int irrep, char jobvs, char sort, char sense, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > sdim, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix vs, int ldvs, std::shared_ptr< Vector > rconde, std::shared_ptr< Vector > rcondv, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DGEESX, a wrapper to return C_DGEESX using objects. More...
 
int psi::PSI_DGEEV (int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEEV, a wrapper to return C_DGEEV using objects. More...
 
int psi::PSI_DGEEVX (int irrep, char balanc, char jobvl, char jobvr, char sense, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< IntVector > ilo, std::shared_ptr< IntVector > ihi, std::shared_ptr< Vector > scale, std::shared_ptr< Vector > abnrm, std::shared_ptr< Vector > rconde, std::shared_ptr< Vector > rcondv, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DGEEVX, a wrapper to return C_DGEEVX using objects. More...
 
int psi::PSI_DGEGS (int irrep, char jobvsl, char jobvsr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vsl, int ldvsl, SharedMatrix vsr, int ldvsr, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEGS, a wrapper to return C_DGEGS using objects. More...
 
int psi::PSI_DGEGV (int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEGV, a wrapper to return C_DGEGV using objects. More...
 
int psi::PSI_DGEHRD (int irrep, int n, int ilo, int ihi, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEHRD, a wrapper to return C_DGEHRD using objects. More...
 
int psi::PSI_DGELQF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DGELQF, a wrapper to return C_DGELQF using objects. More...
 
int psi::PSI_DGELS (int irrep, char trans, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > work, int lwork)
 PSI_DGELS, a wrapper to return C_DGELS using objects. More...
 
int psi::PSI_DGELSD (int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > s, double rcond, std::shared_ptr< IntVector > rank, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DGELSD, a wrapper to return C_DGELSD using objects. More...
 
int psi::PSI_DGELSS (int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > s, double rcond, std::shared_ptr< IntVector > rank, std::shared_ptr< Vector > work, int lwork)
 PSI_DGELSS, a wrapper to return C_DGELSS using objects. More...
 
int psi::PSI_DGELSX (int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< IntVector > jpvt, double rcond, std::shared_ptr< IntVector > rank, std::shared_ptr< Vector > work)
 PSI_DGELSX, a wrapper to return C_DGELSX using objects. More...
 
int psi::PSI_DGELSY (int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< IntVector > jpvt, double rcond, std::shared_ptr< IntVector > rank, std::shared_ptr< Vector > work, int lwork)
 PSI_DGELSY, a wrapper to return C_DGELSY using objects. More...
 
int psi::PSI_DGEQLF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEQLF, a wrapper to return C_DGEQLF using objects. More...
 
int psi::PSI_DGEQP3 (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > jpvt, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DGEQP3, a wrapper to return C_DGEQP3 using objects. More...
 
int psi::PSI_DGEQPF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > jpvt, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work)
 PSI_DGEQPF, a wrapper to return C_DGEQPF using objects. More...
 
int psi::PSI_DGERFS (int irrep, char trans, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGERFS, a wrapper to return C_DGERFS using objects. More...
 
int psi::PSI_DGERQF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DGERQF, a wrapper to return C_DGERQF using objects. More...
 
int psi::PSI_DGESDD (int irrep, char jobz, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > s, SharedMatrix u, int ldu, SharedMatrix vt, int ldvt, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DGESDD, a wrapper to return C_DGESDD using objects. More...
 
int psi::PSI_DGESV (int irrep, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DGESV, a wrapper to return C_DGESV using objects. More...
 
int psi::PSI_DGESVX (int irrep, char fact, char trans, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, std::shared_ptr< IntVector > ipiv, char equed, std::shared_ptr< Vector > r, std::shared_ptr< Vector > c, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGESVX, a wrapper to return C_DGESVX using objects. More...
 
int psi::PSI_DGETRF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv)
 PSI_DGETRF, a wrapper to return C_DGETRF using objects. More...
 
int psi::PSI_DGETRI (int irrep, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, std::shared_ptr< Vector > work, int lwork)
 PSI_DGETRI, a wrapper to return C_DGETRI using objects. More...
 
int psi::PSI_DGETRS (int irrep, char trans, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DGETRS, a wrapper to return C_DGETRS using objects. More...
 
int psi::PSI_DGGBAK (int irrep, char job, char side, int n, int ilo, int ihi, std::shared_ptr< Vector > lscale, std::shared_ptr< Vector > rscale, int m, SharedMatrix v, int ldv)
 PSI_DGGBAK, a wrapper to return C_DGGBAK using objects. More...
 
int psi::PSI_DGGBAL (int irrep, char job, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< IntVector > ilo, std::shared_ptr< IntVector > ihi, std::shared_ptr< Vector > lscale, std::shared_ptr< Vector > rscale, std::shared_ptr< Vector > work)
 PSI_DGGBAL, a wrapper to return C_DGGBAL using objects. More...
 
int psi::PSI_DGGES (int irrep, char jobvsl, char jobvsr, char sort, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< IntVector > sdim, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vsl, int ldvsl, SharedMatrix vsr, int ldvsr, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGES, a wrapper to return C_DGGES using objects. More...
 
int psi::PSI_DGGESX (int irrep, char jobvsl, char jobvsr, char sort, char sense, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< IntVector > sdim, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vsl, int ldvsl, SharedMatrix vsr, int ldvsr, std::shared_ptr< Vector > rconde, std::shared_ptr< Vector > rcondv, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DGGESX, a wrapper to return C_DGGESX using objects. More...
 
int psi::PSI_DGGEV (int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGEV, a wrapper to return C_DGGEV using objects. More...
 
int psi::PSI_DGGEVX (int irrep, char balanc, char jobvl, char jobvr, char sense, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< IntVector > ilo, std::shared_ptr< IntVector > ihi, std::shared_ptr< Vector > lscale, std::shared_ptr< Vector > rscale, std::shared_ptr< Vector > abnrm, std::shared_ptr< Vector > bbnrm, std::shared_ptr< Vector > rconde, std::shared_ptr< Vector > rcondv, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DGGEVX, a wrapper to return C_DGGEVX using objects. More...
 
int psi::PSI_DGGGLM (int irrep, int n, int m, int p, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > d, std::shared_ptr< Vector > x, std::shared_ptr< Vector > y, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGGLM, a wrapper to return C_DGGGLM using objects. More...
 
int psi::PSI_DGGHRD (int irrep, char compq, char compz, int n, int ilo, int ihi, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix q, int ldq, SharedMatrix z, int ldz)
 PSI_DGGHRD, a wrapper to return C_DGGHRD using objects. More...
 
int psi::PSI_DGGLSE (int irrep, int m, int n, int p, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > c, std::shared_ptr< Vector > d, std::shared_ptr< Vector > x, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGLSE, a wrapper to return C_DGGLSE using objects. More...
 
int psi::PSI_DGGQRF (int irrep, int n, int m, int p, SharedMatrix a, int lda, std::shared_ptr< Vector > taua, SharedMatrix b, int ldb, std::shared_ptr< Vector > taub, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGQRF, a wrapper to return C_DGGQRF using objects. More...
 
int psi::PSI_DGGRQF (int irrep, int m, int p, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > taua, SharedMatrix b, int ldb, std::shared_ptr< Vector > taub, std::shared_ptr< Vector > work, int lwork)
 PSI_DGGRQF, a wrapper to return C_DGGRQF using objects. More...
 
int psi::PSI_DGGSVD (int irrep, char jobu, char jobv, char jobq, int m, int n, int p, std::shared_ptr< IntVector > k, std::shared_ptr< IntVector > l, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alpha, std::shared_ptr< Vector > beta, SharedMatrix u, int ldu, SharedMatrix v, int ldv, SharedMatrix q, int ldq, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGGSVD, a wrapper to return C_DGGSVD using objects. More...
 
int psi::PSI_DGGSVP (int irrep, char jobu, char jobv, char jobq, int m, int p, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, double tola, double tolb, std::shared_ptr< IntVector > k, std::shared_ptr< IntVector > l, SharedMatrix u, int ldu, SharedMatrix v, int ldv, SharedMatrix q, int ldq, std::shared_ptr< IntVector > iwork, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work)
 PSI_DGGSVP, a wrapper to return C_DGGSVP using objects. More...
 
int psi::PSI_DGTCON (int irrep, char norm, int n, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, std::shared_ptr< Vector > du2, std::shared_ptr< IntVector > ipiv, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGTCON, a wrapper to return C_DGTCON using objects. More...
 
int psi::PSI_DGTRFS (int irrep, char trans, int n, int nrhs, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, std::shared_ptr< Vector > dlf, std::shared_ptr< Vector > df, std::shared_ptr< Vector > duf, std::shared_ptr< Vector > du2, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DGTRFS, a wrapper to return C_DGTRFS using objects. More...
 
int psi::PSI_DGTSV (int irrep, int n, int nrhs, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, SharedMatrix b, int ldb)
 PSI_DGTSV, a wrapper to return C_DGTSV using objects. More...
 
int psi::PSI_DGTSVX (int irrep, char fact, char trans, int n, int nrhs, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, std::shared_ptr< Vector > dlf, std::shared_ptr< Vector > df, std::shared_ptr< Vector > duf, std::shared_ptr< Vector > du2, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond)
 PSI_DGTSVX, a wrapper to return C_DGTSVX using objects. More...
 
int psi::PSI_DGTTRF (int irrep, int n, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, std::shared_ptr< Vector > du2, std::shared_ptr< IntVector > ipiv)
 PSI_DGTTRF, a wrapper to return C_DGTTRF using objects. More...
 
int psi::PSI_DGTTRS (int irrep, char trans, int n, int nrhs, std::shared_ptr< Vector > dl, std::shared_ptr< Vector > d, std::shared_ptr< Vector > du, std::shared_ptr< Vector > du2, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DGTTRS, a wrapper to return C_DGTTRS using objects. More...
 
int psi::PSI_DHGEQZ (int irrep, char job, char compq, char compz, int n, int ilo, int ihi, SharedMatrix h, int ldh, SharedMatrix t, int ldt, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix q, int ldq, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork)
 PSI_DHGEQZ, a wrapper to return C_DHGEQZ using objects. More...
 
int psi::PSI_DHSEIN (int irrep, char side, char eigsrc, char initv, int n, SharedMatrix h, int ldh, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, int mm, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > ifaill, std::shared_ptr< IntVector > ifailr)
 PSI_DHSEIN, a wrapper to return C_DHSEIN using objects. More...
 
int psi::PSI_DHSEQR (int irrep, char job, char compz, int n, int ilo, int ihi, SharedMatrix h, int ldh, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork)
 PSI_DHSEQR, a wrapper to return C_DHSEQR using objects. More...
 
int psi::PSI_DORGBR (int irrep, char vect, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGBR, a wrapper to return C_DORGBR using objects. More...
 
int psi::PSI_DORGHR (int irrep, int n, int ilo, int ihi, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGHR, a wrapper to return C_DORGHR using objects. More...
 
int psi::PSI_DORGLQ (int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGLQ, a wrapper to return C_DORGLQ using objects. More...
 
int psi::PSI_DORGQL (int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGQL, a wrapper to return C_DORGQL using objects. More...
 
int psi::PSI_DORGQR (int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGQR, a wrapper to return C_DORGQR using objects. More...
 
int psi::PSI_DORGRQ (int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGRQ, a wrapper to return C_DORGRQ using objects. More...
 
int psi::PSI_DORGTR (int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DORGTR, a wrapper to return C_DORGTR using objects. More...
 
int psi::PSI_DORMBR (int irrep, char vect, char side, char trans, int m, int n, int k, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMBR, a wrapper to return C_DORMBR using objects. More...
 
int psi::PSI_DORMHR (int irrep, char side, char trans, int m, int n, int ilo, int ihi, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMHR, a wrapper to return C_DORMHR using objects. More...
 
int psi::PSI_DORMLQ (int irrep, char side, char trans, int m, int n, int k, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMLQ, a wrapper to return C_DORMLQ using objects. More...
 
int psi::PSI_DORMQL (int irrep, char side, char trans, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMQL, a wrapper to return C_DORMQL using objects. More...
 
int psi::PSI_DORMQR (int irrep, char side, char trans, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMQR, a wrapper to return C_DORMQR using objects. More...
 
int psi::PSI_DORMR3 (int irrep, char side, char trans, int m, int n, int k, int l, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work)
 PSI_DORMR3, a wrapper to return C_DORMR3 using objects. More...
 
int psi::PSI_DORMRQ (int irrep, char side, char trans, int m, int n, int k, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMRQ, a wrapper to return C_DORMRQ using objects. More...
 
int psi::PSI_DORMRZ (int irrep, char side, char trans, int m, int n, int k, int l, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMRZ, a wrapper to return C_DORMRZ using objects. More...
 
int psi::PSI_DORMTR (int irrep, char side, char uplo, char trans, int m, int n, std::shared_ptr< Vector > a, int lda, std::shared_ptr< Vector > tau, SharedMatrix c, int ldc, std::shared_ptr< Vector > work, int lwork)
 PSI_DORMTR, a wrapper to return C_DORMTR using objects. More...
 
int psi::PSI_DPBCON (int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPBCON, a wrapper to return C_DPBCON using objects. More...
 
int psi::PSI_DPBEQU (int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr< Vector > s, std::shared_ptr< Vector > scond, std::shared_ptr< Vector > amax)
 PSI_DPBEQU, a wrapper to return C_DPBEQU using objects. More...
 
int psi::PSI_DPBRFS (int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb, int ldafb, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPBRFS, a wrapper to return C_DPBRFS using objects. More...
 
int psi::PSI_DPBSTF (int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab)
 PSI_DPBSTF, a wrapper to return C_DPBSTF using objects. More...
 
int psi::PSI_DPBSV (int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb)
 PSI_DPBSV, a wrapper to return C_DPBSV using objects. More...
 
int psi::PSI_DPBSVX (int irrep, char fact, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb, int ldafb, char equed, std::shared_ptr< Vector > s, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPBSVX, a wrapper to return C_DPBSVX using objects. More...
 
int psi::PSI_DPBTRF (int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab)
 PSI_DPBTRF, a wrapper to return C_DPBTRF using objects. More...
 
int psi::PSI_DPBTRS (int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb)
 PSI_DPBTRS, a wrapper to return C_DPBTRS using objects. More...
 
int psi::PSI_DPOCON (int irrep, char uplo, int n, SharedMatrix a, int lda, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPOCON, a wrapper to return C_DPOCON using objects. More...
 
int psi::PSI_DPOEQU (int irrep, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > s, std::shared_ptr< Vector > scond, std::shared_ptr< Vector > amax)
 PSI_DPOEQU, a wrapper to return C_DPOEQU using objects. More...
 
int psi::PSI_DPORFS (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPORFS, a wrapper to return C_DPORFS using objects. More...
 
int psi::PSI_DPOSV (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DPOSV, a wrapper to return C_DPOSV using objects. More...
 
int psi::PSI_DPOSVX (int irrep, char fact, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, char equed, std::shared_ptr< Vector > s, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DPOSVX, a wrapper to return C_DPOSVX using objects. More...
 
int psi::PSI_DPOTRF (int irrep, char uplo, int n, SharedMatrix a, int lda)
 PSI_DPOTRF, a wrapper to return C_DPOTRF using objects. More...
 
int psi::PSI_DPOTRI (int irrep, char uplo, int n, SharedMatrix a, int lda)
 PSI_DPOTRI, a wrapper to return C_DPOTRI using objects. More...
 
int psi::PSI_DPOTRS (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DPOTRS, a wrapper to return C_DPOTRS using objects. More...
 
int psi::PSI_DPTCON (int irrep, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work)
 PSI_DPTCON, a wrapper to return C_DPTCON using objects. More...
 
int psi::PSI_DPTEQR (int irrep, char compz, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix z, int ldz, std::shared_ptr< Vector > work)
 PSI_DPTEQR, a wrapper to return C_DPTEQR using objects. More...
 
int psi::PSI_DPTRFS (int irrep, int n, int nrhs, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, std::shared_ptr< Vector > df, std::shared_ptr< Vector > ef, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work)
 PSI_DPTRFS, a wrapper to return C_DPTRFS using objects. More...
 
int psi::PSI_DPTSV (int irrep, int n, int nrhs, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix b, int ldb)
 PSI_DPTSV, a wrapper to return C_DPTSV using objects. More...
 
int psi::PSI_DPTSVX (int irrep, char fact, int n, int nrhs, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, std::shared_ptr< Vector > df, std::shared_ptr< Vector > ef, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work)
 PSI_DPTSVX, a wrapper to return C_DPTSVX using objects. More...
 
int psi::PSI_DPTTRF (int irrep, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e)
 PSI_DPTTRF, a wrapper to return C_DPTTRF using objects. More...
 
int psi::PSI_DPTTRS (int irrep, int n, int nrhs, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix b, int ldb)
 PSI_DPTTRS, a wrapper to return C_DPTTRS using objects. More...
 
int psi::PSI_DSBEV (int irrep, char jobz, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work)
 PSI_DSBEV, a wrapper to return C_DSBEV using objects. More...
 
int psi::PSI_DSBEVD (int irrep, char jobz, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSBEVD, a wrapper to return C_DSBEVD using objects. More...
 
int psi::PSI_DSBEVX (int irrep, char jobz, char range, char uplo, int n, int kd, SharedMatrix ab, int ldab, SharedMatrix q, int ldq, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSBEVX, a wrapper to return C_DSBEVX using objects. More...
 
int psi::PSI_DSBGST (int irrep, char vect, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb, int ldbb, SharedMatrix x, int ldx, std::shared_ptr< Vector > work)
 PSI_DSBGST, a wrapper to return C_DSBGST using objects. More...
 
int psi::PSI_DSBGV (int irrep, char jobz, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb, int ldbb, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work)
 PSI_DSBGV, a wrapper to return C_DSBGV using objects. More...
 
int psi::PSI_DSBGVD (int irrep, char jobz, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb, int ldbb, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSBGVD, a wrapper to return C_DSBGVD using objects. More...
 
int psi::PSI_DSBGVX (int irrep, char jobz, char range, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb, int ldbb, SharedMatrix q, int ldq, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSBGVX, a wrapper to return C_DSBGVX using objects. More...
 
int psi::PSI_DSBTRD (int irrep, char vect, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix q, int ldq, std::shared_ptr< Vector > work)
 PSI_DSBTRD, a wrapper to return C_DSBTRD using objects. More...
 
int psi::PSI_DSGESV (int irrep, int n, int nrhs, std::shared_ptr< Vector > a, int lda, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, SharedMatrix work, std::shared_ptr< IntVector > iter)
 PSI_DSGESV, a wrapper to return C_DSGESV using objects. More...
 
int psi::PSI_DSTEBZ (int irrep, char range, char order, int n, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, std::shared_ptr< IntVector > m, std::shared_ptr< IntVector > nsplit, std::shared_ptr< Vector > w, std::shared_ptr< IntVector > iblock, std::shared_ptr< IntVector > isplit, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DSTEBZ, a wrapper to return C_DSTEBZ using objects. More...
 
int psi::PSI_DSTEDC (int irrep, char compz, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSTEDC, a wrapper to return C_DSTEDC using objects. More...
 
int psi::PSI_DSTEGR (int irrep, char jobz, char range, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< IntVector > isuppz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSTEGR, a wrapper to return C_DSTEGR using objects. More...
 
int psi::PSI_DSTEIN (int irrep, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, int m, std::shared_ptr< Vector > w, std::shared_ptr< IntVector > iblock, std::shared_ptr< IntVector > isplit, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSTEIN, a wrapper to return C_DSTEIN using objects. More...
 
int psi::PSI_DSTEQR (int irrep, char compz, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix z, int ldz, std::shared_ptr< Vector > work)
 PSI_DSTEQR, a wrapper to return C_DSTEQR using objects. More...
 
int psi::PSI_DSTERF (int irrep, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e)
 PSI_DSTERF, a wrapper to return C_DSTERF using objects. More...
 
int psi::PSI_DSTEV (int irrep, char jobz, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix z, int ldz, std::shared_ptr< Vector > work)
 PSI_DSTEV, a wrapper to return C_DSTEV using objects. More...
 
int psi::PSI_DSTEVD (int irrep, char jobz, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSTEVD, a wrapper to return C_DSTEVD using objects. More...
 
int psi::PSI_DSTEVR (int irrep, char jobz, char range, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< IntVector > isuppz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSTEVR, a wrapper to return C_DSTEVR using objects. More...
 
int psi::PSI_DSTEVX (int irrep, char jobz, char range, int n, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSTEVX, a wrapper to return C_DSTEVX using objects. More...
 
int psi::PSI_DSYCON (int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, double anorm, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DSYCON, a wrapper to return C_DSYCON using objects. More...
 
int psi::PSI_DSYEV (int irrep, char jobz, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > w, std::shared_ptr< Vector > work, int lwork)
 PSI_DSYEV, a wrapper to return C_DSYEV using objects. More...
 
int psi::PSI_DSYEVD (int irrep, char jobz, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > w, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSYEVD, a wrapper to return C_DSYEVD using objects. More...
 
int psi::PSI_DSYEVR (int irrep, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< IntVector > isuppz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSYEVR, a wrapper to return C_DSYEVR using objects. More...
 
int psi::PSI_DSYEVX (int irrep, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSYEVX, a wrapper to return C_DSYEVX using objects. More...
 
int psi::PSI_DSYGST (int irrep, int itype, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DSYGST, a wrapper to return C_DSYGST using objects. More...
 
int psi::PSI_DSYGV (int irrep, int itype, char jobz, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > w, std::shared_ptr< Vector > work, int lwork)
 PSI_DSYGV, a wrapper to return C_DSYGV using objects. More...
 
int psi::PSI_DSYGVD (int irrep, int itype, char jobz, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > w, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DSYGVD, a wrapper to return C_DSYGVD using objects. More...
 
int psi::PSI_DSYGVX (int irrep, int itype, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, double vl, double vu, int il, int iu, double abstol, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > w, SharedMatrix z, int ldz, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, std::shared_ptr< IntVector > ifail)
 PSI_DSYGVX, a wrapper to return C_DSYGVX using objects. More...
 
int psi::PSI_DSYRFS (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DSYRFS, a wrapper to return C_DSYRFS using objects. More...
 
int psi::PSI_DSYSV (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, std::shared_ptr< Vector > work, int lwork)
 PSI_DSYSV, a wrapper to return C_DSYSV using objects. More...
 
int psi::PSI_DSYSVX (int irrep, char fact, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > rcond)
 PSI_DSYSVX, a wrapper to return C_DSYSVX using objects. More...
 
int psi::PSI_DSYTRD (int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > d, std::shared_ptr< Vector > e, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DSYTRD, a wrapper to return C_DSYTRD using objects. More...
 
int psi::PSI_DSYTRF (int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, std::shared_ptr< Vector > work, int lwork)
 PSI_DSYTRF, a wrapper to return C_DSYTRF using objects. More...
 
int psi::PSI_DSYTRI (int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, std::shared_ptr< Vector > work)
 PSI_DSYTRI, a wrapper to return C_DSYTRI using objects. More...
 
int psi::PSI_DSYTRS (int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr< IntVector > ipiv, SharedMatrix b, int ldb)
 PSI_DSYTRS, a wrapper to return C_DSYTRS using objects. More...
 
int psi::PSI_DTBCON (int irrep, char norm, char uplo, char diag, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DTBCON, a wrapper to return C_DTBCON using objects. More...
 
int psi::PSI_DTBRFS (int irrep, char uplo, char trans, char diag, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DTBRFS, a wrapper to return C_DTBRFS using objects. More...
 
int psi::PSI_DTBTRS (int irrep, char uplo, char trans, char diag, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb)
 PSI_DTBTRS, a wrapper to return C_DTBTRS using objects. More...
 
int psi::PSI_DTGEVC (int irrep, char side, char howmny, int n, SharedMatrix s, int lds, SharedMatrix p, int ldp, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, int mm, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > work)
 PSI_DTGEVC, a wrapper to return C_DTGEVC using objects. More...
 
int psi::PSI_DTGEXC (int irrep, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix q, int ldq, SharedMatrix z, int ldz, std::shared_ptr< IntVector > ifst, std::shared_ptr< IntVector > ilst, std::shared_ptr< Vector > work, int lwork)
 PSI_DTGEXC, a wrapper to return C_DTGEXC using objects. More...
 
int psi::PSI_DTGSEN (int irrep, int ijob, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, std::shared_ptr< Vector > alphar, std::shared_ptr< Vector > alphai, std::shared_ptr< Vector > beta, SharedMatrix q, int ldq, SharedMatrix z, int ldz, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > pl, std::shared_ptr< Vector > pr, std::shared_ptr< Vector > dif, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DTGSEN, a wrapper to return C_DTGSEN using objects. More...
 
int psi::PSI_DTGSJA (int irrep, char jobu, char jobv, char jobq, int m, int p, int n, int k, int l, SharedMatrix a, int lda, SharedMatrix b, int ldb, double tola, double tolb, std::shared_ptr< Vector > alpha, std::shared_ptr< Vector > beta, SharedMatrix u, int ldu, SharedMatrix v, int ldv, SharedMatrix q, int ldq, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > ncycle)
 PSI_DTGSJA, a wrapper to return C_DTGSJA using objects. More...
 
int psi::PSI_DTGSNA (int irrep, char job, char howmny, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< Vector > s, std::shared_ptr< Vector > dif, int mm, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DTGSNA, a wrapper to return C_DTGSNA using objects. More...
 
int psi::PSI_DTGSYL (int irrep, char trans, int ijob, int m, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix c, int ldc, SharedMatrix d, int ldd, SharedMatrix e, int lde, SharedMatrix f, int ldf, std::shared_ptr< Vector > dif, std::shared_ptr< Vector > scale, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork)
 PSI_DTGSYL, a wrapper to return C_DTGSYL using objects. More...
 
int psi::PSI_DTRCON (int irrep, char norm, char uplo, char diag, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > rcond, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DTRCON, a wrapper to return C_DTRCON using objects. More...
 
int psi::PSI_DTREVC (int irrep, char side, char howmny, int n, SharedMatrix t, int ldt, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, int mm, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > work)
 PSI_DTREVC, a wrapper to return C_DTREVC using objects. More...
 
int psi::PSI_DTREXC (int irrep, char compq, int n, SharedMatrix t, int ldt, SharedMatrix q, int ldq, std::shared_ptr< IntVector > ifst, std::shared_ptr< IntVector > ilst, std::shared_ptr< Vector > work)
 PSI_DTREXC, a wrapper to return C_DTREXC using objects. More...
 
int psi::PSI_DTRRFS (int irrep, char uplo, char trans, char diag, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr< Vector > ferr, std::shared_ptr< Vector > berr, std::shared_ptr< Vector > work, std::shared_ptr< IntVector > iwork)
 PSI_DTRRFS, a wrapper to return C_DTRRFS using objects. More...
 
int psi::PSI_DTRSEN (int irrep, char job, char compq, int n, SharedMatrix t, int ldt, SharedMatrix q, int ldq, std::shared_ptr< Vector > wr, std::shared_ptr< Vector > wi, std::shared_ptr< IntVector > m, std::shared_ptr< Vector > s, std::shared_ptr< Vector > sep, std::shared_ptr< Vector > work, int lwork, std::shared_ptr< IntVector > iwork, int liwork)
 PSI_DTRSEN, a wrapper to return C_DTRSEN using objects. More...
 
int psi::PSI_DTRSNA (int irrep, char job, char howmny, int n, SharedMatrix t, int ldt, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr< Vector > s, std::shared_ptr< Vector > sep, int mm, std::shared_ptr< IntVector > m, SharedMatrix work, int ldwork, std::shared_ptr< IntVector > iwork)
 PSI_DTRSNA, a wrapper to return C_DTRSNA using objects. More...
 
int psi::PSI_DTRSYL (int irrep, char trana, char tranb, int isgn, int m, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix c, int ldc, std::shared_ptr< Vector > scale)
 PSI_DTRSYL, a wrapper to return C_DTRSYL using objects. More...
 
int psi::PSI_DTRTRI (int irrep, char uplo, char diag, int n, SharedMatrix a, int lda)
 PSI_DTRTRI, a wrapper to return C_DTRTRI using objects. More...
 
int psi::PSI_DTRTRS (int irrep, char uplo, char trans, char diag, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb)
 PSI_DTRTRS, a wrapper to return C_DTRTRS using objects. More...
 
int psi::PSI_DTZRQF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau)
 PSI_DTZRQF, a wrapper to return C_DTZRQF using objects. More...
 
int psi::PSI_DTZRZF (int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr< Vector > tau, std::shared_ptr< Vector > work, int lwork)
 PSI_DTZRZF, a wrapper to return C_DTZRZF using objects. More...