Psi4
psimath.h
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1 /*
2  * @BEGIN LICENSE
3  *
4  * Psi4: an open-source quantum chemistry software package
5  *
6  * Copyright (c) 2007-2017 The Psi4 Developers.
7  *
8  * The copyrights for code used from other parties are included in
9  * the corresponding files.
10  *
11  * This program is free software; you can redistribute it and/or modify
12  * it under the terms of the GNU General Public License as published by
13  * the Free Software Foundation; either version 2 of the License, or
14  * (at your option) any later version.
15  *
16  * This program is distributed in the hope that it will be useful,
17  * but WITHOUT ANY WARRANTY; without even the implied warranty of
18  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19  * GNU General Public License for more details.
20  *
21  * You should have received a copy of the GNU General Public License along
22  * with this program; if not, write to the Free Software Foundation, Inc.,
23  * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24  *
25  * @END LICENSE
26  */
27 
28 #ifndef LIBMINTS_PSIMATH
29 #define LIBMINTS_PSIMATH
30 
31 #include "typedefs.h"
32 
39 namespace psi {
40 
41 class Matrix;
42 class Vector;
43 class IntVector;
44 
46 void 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);
48 void 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);
50 void 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);
52 void 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);
54 void 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);
56 void 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);
58 void 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);
60 void PSI_DSYR(int irrep, char uplo, int n, double alpha, std::shared_ptr<Vector> x, int incx, SharedMatrix a, int lda);
62 void 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);
64 void 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);
66 void PSI_DSYRK(int irrep, char uplo, char trans, int n, int k, double alpha, SharedMatrix a, int lda, double beta, SharedMatrix c, int ldc);
68 void 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);
70 void 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);
72 void 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);
74 void PSI_DTRMV(int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> x, int incx);
76 void 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);
78 void PSI_DTRSV(int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> x, int incx);
80 void PSI_DROT(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy, double c, double s);
82 void PSI_DSWAP(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
84 void PSI_DCOPY(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
86 void PSI_DSCAL(int irrep, unsigned long int n, double alpha, std::shared_ptr<Vector> x, int incx);
88 void PSI_DAXPY(int irrep, unsigned long int n, double alpha, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
90 double PSI_DDOT(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
92 double PSI_DNRM2(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx);
94 double PSI_DASUM(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx);
96 unsigned long int PSI_IDAMAX(int irrep, unsigned long int n, std::shared_ptr<Vector> x, int incx);
99 int 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);
101 int 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);
103 int PSI_DDISNA(int irrep, char job, int m, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> sep);
105 int 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);
107 int 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);
109 int 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);
111 int 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);
113 int 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);
115 int 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);
117 int PSI_DGBTRF(int irrep, int m, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr<IntVector> ipiv);
119 int 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);
121 int 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);
123 int 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);
125 int 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);
127 int 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);
129 int 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);
131 int 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);
133 int 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);
135 int 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);
137 int 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);
139 int 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);
141 int 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);
143 int 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);
145 int PSI_DGELQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
147 int 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);
149 int 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);
151 int 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);
153 int 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);
155 int 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);
157 int PSI_DGEQLF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
159 int 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);
161 int 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);
163 int 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);
165 int PSI_DGERQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
167 int 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);
169 int PSI_DGESV(int irrep, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb);
171 int 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);
173 int PSI_DGETRF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv);
175 int PSI_DGETRI(int irrep, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, std::shared_ptr<Vector> work, int lwork);
177 int PSI_DGETRS(int irrep, char trans, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb);
179 int 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);
181 int 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);
183 int 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);
185 int 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);
187 int 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);
189 int 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);
191 int 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);
193 int 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);
195 int 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);
197 int 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);
199 int 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);
201 int 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);
203 int 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);
205 int 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);
207 int 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);
209 int 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);
211 int 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);
213 int 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);
215 int 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);
217 int 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);
219 int 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);
221 int 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);
223 int 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);
225 int 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);
227 int 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);
229 int 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);
231 int 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);
233 int 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);
235 int PSI_DORGTR(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
237 int 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);
239 int 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);
241 int 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);
243 int 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);
245 int 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);
247 int 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);
249 int 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);
251 int 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);
253 int 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);
255 int 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);
257 int 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);
259 int 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);
261 int PSI_DPBSTF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab);
263 int PSI_DPBSV(int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb);
265 int 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);
267 int PSI_DPBTRF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab);
269 int PSI_DPBTRS(int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb);
271 int 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);
273 int 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);
275 int 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);
277 int PSI_DPOSV(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb);
279 int 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);
281 int PSI_DPOTRF(int irrep, char uplo, int n, SharedMatrix a, int lda);
283 int PSI_DPOTRI(int irrep, char uplo, int n, SharedMatrix a, int lda);
285 int PSI_DPOTRS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb);
287 int 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);
289 int 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);
291 int 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);
293 int PSI_DPTSV(int irrep, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix b, int ldb);
295 int 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);
297 int PSI_DPTTRF(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e);
299 int PSI_DPTTRS(int irrep, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix b, int ldb);
301 int 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);
303 int 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);
305 int 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);
307 int 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);
309 int 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);
311 int 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);
313 int 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);
315 int 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);
317 int 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);
319 int 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);
321 int 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);
323 int 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);
325 int 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);
327 int 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);
329 int PSI_DSTERF(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e);
331 int 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);
333 int 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);
335 int 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);
337 int 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);
339 int 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);
341 int 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);
343 int 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);
345 int 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);
347 int 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);
349 int PSI_DSYGST(int irrep, int itype, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb);
351 int 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);
353 int 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);
355 int 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);
357 int 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);
359 int 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);
361 int 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);
363 int 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);
365 int PSI_DSYTRF(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, std::shared_ptr<Vector> work, int lwork);
367 int PSI_DSYTRI(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, std::shared_ptr<Vector> work);
369 int PSI_DSYTRS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb);
371 int 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);
373 int 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);
375 int PSI_DTBTRS(int irrep, char uplo, char trans, char diag, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb);
377 int 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);
379 int 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);
381 int 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);
383 int 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);
385 int 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);
387 int 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);
389 int 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);
391 int 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);
393 int 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);
395 int 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);
397 int 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);
399 int 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);
401 int 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);
403 int PSI_DTRTRI(int irrep, char uplo, char diag, int n, SharedMatrix a, int lda);
405 int PSI_DTRTRS(int irrep, char uplo, char trans, char diag, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb);
407 int PSI_DTZRQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau);
409 int PSI_DTZRZF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
410 }
411 #endif
int 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.
Definition: psimath.cc:798
int 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.
Definition: psimath.cc:728
int 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.
Definition: psimath.cc:758
int 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.
Definition: psimath.cc:653
int 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.
Definition: psimath.cc:438
int 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.
Definition: psimath.cc:488
int 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.
Definition: psimath.cc:858
uint64_t fact(int n)
Definition: solidharmonics.cc:53
int 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.
Definition: psimath.cc:883
int 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.
Definition: psimath.cc:548
int 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.
Definition: psimath.cc:763
int 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.
Definition: psimath.cc:873
int 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)
Definition: psimath.cc:173
void 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.
Definition: psimath.cc:99
int 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.
Definition: psimath.cc:533
int 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.
Definition: psimath.cc:243
int 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.
Definition: psimath.cc:258
int 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.
Definition: psimath.cc:313
void 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.
Definition: psimath.cc:54
int 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.
Definition: psimath.cc:753
void diag(void)
Definition: diag.cc:133
int 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.
Definition: psimath.cc:638
int PSI_DPBTRF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab)
PSI_DPBTRF, a wrapper to return C_DPBTRF using objects.
Definition: psimath.cc:593
int 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.
Definition: psimath.cc:338
int 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.
Definition: psimath.cc:688
void 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.
Definition: psimath.cc:59
int 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.
Definition: psimath.cc:363
int 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.
Definition: psimath.cc:598
void 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.
Definition: psimath.cc:109
int 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.
Definition: psimath.cc:743
int 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.
Definition: psimath.cc:418
int 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.
Definition: psimath.cc:643
double df[MAX_DF]
Definition: wavefunction.cc:61
int 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.
Definition: psimath.cc:913
void 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.
Definition: psimath.cc:69
int 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.
Definition: psimath.cc:398
int 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.
Definition: psimath.cc:453
int 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.
Definition: psimath.cc:583
int 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.
Definition: psimath.cc:353
int 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.
Definition: psimath.cc:213
int 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.
Definition: psimath.cc:343
int 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.
Definition: psimath.cc:843
double ** u
Definition: dx_write.cc:56
int 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.
Definition: psimath.cc:198
int 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.
Definition: psimath.cc:923
int 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.
Definition: psimath.cc:188
int 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.
Definition: psimath.cc:298
int 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.
Definition: psimath.cc:718
int 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.
Definition: psimath.cc:573
int 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.
Definition: psimath.cc:888
int 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.
Definition: psimath.cc:383
int 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.
Definition: psimath.cc:428
int 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.
Definition: psimath.cc:878
int 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.
Definition: psimath.cc:713
int 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.
Definition: psimath.cc:863
int 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.
Definition: psimath.cc:648
int 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.
Definition: psimath.cc:938
void PSI_DSWAP(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DSWAP, a wrapper to C_DSWAP using objects.
Definition: psimath.cc:130
int 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.
Definition: psimath.cc:503
void 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.
Definition: psimath.cc:84
int 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.
Definition: psimath.cc:273
int 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.
Definition: psimath.cc:738
int 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.
Definition: psimath.cc:293
int 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.
Definition: psimath.cc:793
int 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.
Definition: psimath.cc:468
void 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.
Definition: psimath.cc:64
int 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.
Definition: psimath.cc:828
int PSI_DPOTRI(int irrep, char uplo, int n, SharedMatrix a, int lda)
PSI_DPOTRI, a wrapper to return C_DPOTRI using objects.
Definition: psimath.cc:633
int 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.
Definition: psimath.cc:508
int 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.
Definition: psimath.cc:768
void PSI_DAXPY(int irrep, unsigned long int 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.
Definition: psimath.cc:145
int 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.
Definition: psimath.cc:393
int 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.
Definition: psimath.cc:238
void sort(double *A, double **B, int n)
Definition: libqt/sort.cc:49
double PSI_DDOT(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DDOT, a wrapper to C_DDOT using objects.
Definition: psimath.cc:150
double PSI_DNRM2(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx)
PSI_DNRM2, a wrapper to C_DNRM2 using objects.
Definition: psimath.cc:155
int 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.
Definition: psimath.cc:748
int 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.
Definition: psimath.cc:208
int 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.
Definition: psimath.cc:558
int 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.
Definition: psimath.cc:703
int 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.
Definition: psimath.cc:623
int 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.
Definition: psimath.cc:898
int 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.
Definition: psimath.cc:663
int 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.
Definition: psimath.cc:413
void 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.
Definition: psimath.cc:39
int 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.
Definition: psimath.cc:733
int 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.
Definition: psimath.cc:423
int 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.
Definition: psimath.cc:568
int 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.
Definition: psimath.cc:778
int 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.
Definition: psimath.cc:678
int 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.
Definition: psimath.cc:218
int 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.
Definition: psimath.cc:458
void 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.
Definition: psimath.cc:49
int 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.
Definition: psimath.cc:788
int 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.
Definition: psimath.cc:838
void PSI_DSCAL(int irrep, unsigned long int n, double alpha, std::shared_ptr< Vector > x, int incx)
PSI_DSCAL, a wrapper to C_DSCAL using objects.
Definition: psimath.cc:140
int 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.
Definition: psimath.cc:233
int 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.
Definition: psimath.cc:303
int 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.
Definition: psimath.cc:323
int 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.
Definition: psimath.cc:563
int 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.
Definition: psimath.cc:433
unsigned long int PSI_IDAMAX(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx)
PSI_IDAMAX, a wrapper to C_IDAMAX using objects.
Definition: psimath.cc:165
int 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.
Definition: psimath.cc:543
int 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.
Definition: psimath.cc:448
int 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.
Definition: psimath.cc:278
int 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.
Definition: psimath.cc:388
int 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.
Definition: psimath.cc:528
void PSI_DCOPY(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DCOPY, a wrapper to C_DCOPY using objects.
Definition: psimath.cc:135
int 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.
Definition: psimath.cc:373
void 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.
Definition: psimath.cc:114
int 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.
Definition: psimath.cc:463
double PSI_DASUM(int irrep, unsigned long int n, std::shared_ptr< Vector > x, int incx)
PSI_DASUM, a wrapper to C_DASUM using objects.
Definition: psimath.cc:160
int 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.
Definition: psimath.cc:518
int 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.
Definition: psimath.cc:708
int 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.
Definition: psimath.cc:203
int 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.
Definition: psimath.cc:903
int 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.
Definition: psimath.cc:773
int 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.
Definition: psimath.cc:308
int 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.
Definition: psimath.cc:443
int 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.
Definition: psimath.cc:818
void 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.
Definition: psimath.cc:94
int PSI_DPBSTF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab)
PSI_DPBSTF, a wrapper to return C_DPBSTF using objects.
Definition: psimath.cc:578
int 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.
Definition: psimath.cc:268
int 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.
Definition: psimath.cc:513
void 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.
Definition: psimath.cc:119
int 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.
Definition: psimath.cc:723
int 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.
Definition: psimath.cc:178
int 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.
Definition: psimath.cc:473
int 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.
Definition: psimath.cc:668
int 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.
Definition: psimath.cc:683
int 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.
Definition: psimath.cc:378
int 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.
Definition: psimath.cc:228
std::shared_ptr< Matrix > SharedMatrix
Definition: adc.h:50
int 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.
Definition: psimath.cc:608
int 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.
Definition: psimath.cc:833
CCTransform * trans
Definition: psimrcc/main.cc:79
int 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.
Definition: psimath.cc:333
int 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.
Definition: psimath.cc:618
int 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.
Definition: psimath.cc:698
int 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.
Definition: psimath.cc:943
int 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.
Definition: psimath.cc:483
int 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.
Definition: psimath.cc:538
static double ** bb
Definition: mmult.cc:42
int 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.
Definition: psimath.cc:253
int 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.
Definition: psimath.cc:948
int 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.
Definition: psimath.cc:523
int 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.
Definition: psimath.cc:498
int 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.
Definition: psimath.cc:553
int 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.
Definition: psimath.cc:693
void 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.
Definition: psimath.cc:44
int 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.
Definition: psimath.cc:783
int 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.
Definition: psimath.cc:908
int 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.
Definition: psimath.cc:813
int 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.
Definition: psimath.cc:493
int 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.
Definition: psimath.cc:808
int 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.
Definition: psimath.cc:223
void 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.
Definition: psimath.cc:104
int 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.
Definition: psimath.cc:403
int 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.
Definition: psimath.cc:613
void PSI_DROT(int irrep, unsigned long int 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.
Definition: psimath.cc:125
int 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.
Definition: psimath.cc:928
int 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.
Definition: psimath.cc:823
int 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.
Definition: psimath.cc:868
int 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.
Definition: psimath.cc:193
int 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.
Definition: psimath.cc:318
int 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.
Definition: psimath.cc:408
int 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.
Definition: psimath.cc:803
int 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.
Definition: psimath.cc:348
int 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.
Definition: psimath.cc:893
void 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.
Definition: psimath.cc:79
int 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.
Definition: psimath.cc:918
int 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.
Definition: psimath.cc:478
int 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.
Definition: psimath.cc:603
int 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.
Definition: psimath.cc:263
void 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.
Definition: psimath.cc:74
int 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.
Definition: psimath.cc:848
int 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.
Definition: psimath.cc:288
int 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.
Definition: psimath.cc:658
void 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.
Definition: psimath.cc:89
int 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.
Definition: psimath.cc:183
int 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.
Definition: psimath.cc:328
int 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.
Definition: psimath.cc:283
int 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.
Definition: psimath.cc:673
int PSI_DTRTRI(int irrep, char uplo, char diag, int n, SharedMatrix a, int lda)
PSI_DTRTRI, a wrapper to return C_DTRTRI using objects.
Definition: psimath.cc:933
int PSI_DPOTRF(int irrep, char uplo, int n, SharedMatrix a, int lda)
PSI_DPOTRF, a wrapper to return C_DPOTRF using objects.
Definition: psimath.cc:628
int 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.
Definition: psimath.cc:368
int 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.
Definition: psimath.cc:248
int 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.
Definition: psimath.cc:358
int 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.
Definition: psimath.cc:853
int 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.
Definition: psimath.cc:588