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) 2007-2018 The Psi4 Developers.
7  *
8  * The copyrights for code used from other parties are included in
9  * the corresponding files.
10  *
11  * This file is part of Psi4.
12  *
13  * Psi4 is free software; you can redistribute it and/or modify
14  * it under the terms of the GNU Lesser General Public License as published by
15  * the Free Software Foundation, version 3.
16  *
17  * Psi4 is distributed in the hope that it will be useful,
18  * but WITHOUT ANY WARRANTY; without even the implied warranty of
19  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
20  * GNU Lesser General Public License for more details.
21  *
22  * You should have received a copy of the GNU Lesser General Public License along
23  * with Psi4; if not, write to the Free Software Foundation, Inc.,
24  * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
25  *
26  * @END LICENSE
27  */
28 
29 #ifndef LIBMINTS_PSIMATH
30 #define LIBMINTS_PSIMATH
31 
32 #include "typedefs.h"
33 
40 namespace psi {
41 
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,
47  std::shared_ptr<Vector> x, int incx, double beta, std::shared_ptr<Vector> y, int incy);
49 void PSI_DGEMM(int irrep, char transa, char transb, int m, int n, int k, double alpha, SharedMatrix a, int lda,
50  SharedMatrix b, int ldb, double beta, SharedMatrix c, int ldc);
52 void PSI_DGEMV(int irrep, char trans, int m, int n, double alpha, SharedMatrix a, int lda, std::shared_ptr<Vector> x,
53  int incx, double beta, std::shared_ptr<Vector> y, int incy);
55 void PSI_DGER(int irrep, int m, int n, double alpha, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y,
56  int incy, SharedMatrix a, int lda);
58 void PSI_DSBMV(int irrep, char uplo, int n, int k, double alpha, SharedMatrix a, int lda, std::shared_ptr<Vector> x,
59  int incx, double beta, std::shared_ptr<Vector> y, int incy);
61 void PSI_DSYMM(int irrep, char side, char uplo, int m, int n, double alpha, SharedMatrix a, int lda, SharedMatrix b,
62  int ldb, double beta, SharedMatrix c, int ldc);
64 void PSI_DSYMV(int irrep, char uplo, int n, double alpha, SharedMatrix a, int lda, std::shared_ptr<Vector> x, int incx,
65  double beta, std::shared_ptr<Vector> y, int incy);
67 void PSI_DSYR(int irrep, char uplo, int n, double alpha, std::shared_ptr<Vector> x, int incx, SharedMatrix a, int lda);
69 void PSI_DSYR2(int irrep, char uplo, int n, double alpha, std::shared_ptr<Vector> x, int incx,
70  std::shared_ptr<Vector> y, int incy, SharedMatrix a, int lda);
72 void PSI_DSYR2K(int irrep, char uplo, char trans, int n, int k, double alpha, SharedMatrix a, int lda, SharedMatrix b,
73  int ldb, double beta, SharedMatrix c, int ldc);
75 void PSI_DSYRK(int irrep, char uplo, char trans, int n, int k, double alpha, SharedMatrix a, int lda, double beta,
76  SharedMatrix c, int ldc);
78 void PSI_DTBMV(int irrep, char uplo, char trans, char diag, int n, int k, SharedMatrix a, int lda,
79  std::shared_ptr<Vector> x, int incx);
81 void PSI_DTBSV(int irrep, char uplo, char trans, char diag, int n, int k, SharedMatrix a, int lda,
82  std::shared_ptr<Vector> x, int incx);
84 void PSI_DTRMM(int irrep, char side, char uplo, char transa, char diag, int m, int n, double alpha, SharedMatrix a,
85  int lda, SharedMatrix b, int ldb);
87 void PSI_DTRMV(int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> x,
88  int incx);
90 void PSI_DTRSM(int irrep, char side, char uplo, char transa, char diag, int m, int n, double alpha, SharedMatrix a,
91  int lda, SharedMatrix b, int ldb);
93 void PSI_DTRSV(int irrep, char uplo, char trans, char diag, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> x,
94  int incx);
96 void PSI_DROT(int irrep, size_t n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy, double c,
97  double s);
99 void PSI_DSWAP(int irrep, size_t n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
101 void PSI_DCOPY(int irrep, size_t n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
103 void PSI_DSCAL(int irrep, size_t n, double alpha, std::shared_ptr<Vector> x, int incx);
105 void PSI_DAXPY(int irrep, size_t n, double alpha, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y,
106  int incy);
108 double PSI_DDOT(int irrep, size_t n, std::shared_ptr<Vector> x, int incx, std::shared_ptr<Vector> y, int incy);
110 double PSI_DNRM2(int irrep, size_t n, std::shared_ptr<Vector> x, int incx);
112 double PSI_DASUM(int irrep, size_t n, std::shared_ptr<Vector> x, int incx);
114 size_t PSI_IDAMAX(int irrep, size_t n, std::shared_ptr<Vector> x, int incx);
117 int PSI_DBDSDC(int irrep, char uplo, char compq, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e,
118  SharedMatrix u, int ldu, SharedMatrix vt, int ldvt, std::shared_ptr<Vector> q,
119  std::shared_ptr<IntVector> iq, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
121 int PSI_DBDSQR(int irrep, char uplo, int n, int ncvt, int nru, int ncc, std::shared_ptr<Vector> d,
122  std::shared_ptr<Vector> e, SharedMatrix vt, int ldvt, SharedMatrix u, int ldu, SharedMatrix c, int ldc,
123  std::shared_ptr<Vector> work);
125 int PSI_DDISNA(int irrep, char job, int m, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> sep);
127 int PSI_DGBBRD(int irrep, char vect, int m, int n, int ncc, int kl, int ku, SharedMatrix ab, int ldab,
128  std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix q, int ldq, SharedMatrix pt, int ldpt,
129  SharedMatrix c, int ldc, std::shared_ptr<Vector> work);
131 int PSI_DGBCON(int irrep, char norm, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr<IntVector> ipiv,
132  double anorm, std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work,
133  std::shared_ptr<IntVector> iwork);
135 int PSI_DGBEQU(int irrep, int m, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr<Vector> r,
136  std::shared_ptr<Vector> c, std::shared_ptr<Vector> rowcnd, std::shared_ptr<Vector> colcnd,
137  std::shared_ptr<Vector> amax);
139 int PSI_DGBRFS(int irrep, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb,
140  int ldafb, std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
141  std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work,
142  std::shared_ptr<IntVector> iwork);
144 int PSI_DGBSV(int irrep, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab, std::shared_ptr<IntVector> ipiv,
145  SharedMatrix b, int ldb);
147 int PSI_DGBSVX(int irrep, char fact, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab,
148  SharedMatrix afb, int ldafb, std::shared_ptr<IntVector> ipiv, char equed, std::shared_ptr<Vector> r,
149  std::shared_ptr<Vector> c, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
150  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr,
151  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
153 int PSI_DGBTRF(int irrep, int m, int n, int kl, int ku, SharedMatrix ab, int ldab, std::shared_ptr<IntVector> ipiv);
155 int PSI_DGBTRS(int irrep, char trans, int n, int kl, int ku, int nrhs, SharedMatrix ab, int ldab,
156  std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb);
158 int PSI_DGEBAK(int irrep, char job, char side, int n, int ilo, int ihi, std::shared_ptr<Vector> scale, int m,
159  SharedMatrix v, int ldv);
161 int PSI_DGEBAL(int irrep, char job, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ilo,
162  std::shared_ptr<IntVector> ihi, std::shared_ptr<Vector> scale);
164 int PSI_DGEBRD(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e,
165  std::shared_ptr<Vector> tauq, std::shared_ptr<Vector> taup, std::shared_ptr<Vector> work, int lwork);
167 int PSI_DGECON(int irrep, char norm, int n, SharedMatrix a, int lda, double anorm, std::shared_ptr<Vector> rcond,
168  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
170 int PSI_DGEEQU(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> r, std::shared_ptr<Vector> c,
171  std::shared_ptr<Vector> rowcnd, std::shared_ptr<Vector> colcnd, std::shared_ptr<Vector> amax);
173 int PSI_DGEES(int irrep, char jobvs, char sort, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> sdim,
174  std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, SharedMatrix vs, int ldvs,
175  std::shared_ptr<Vector> work, int lwork);
177 int PSI_DGEESX(int irrep, char jobvs, char sort, char sense, int n, SharedMatrix a, int lda,
178  std::shared_ptr<IntVector> sdim, std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, SharedMatrix vs,
179  int ldvs, std::shared_ptr<Vector> rconde, std::shared_ptr<Vector> rcondv, std::shared_ptr<Vector> work,
180  int lwork, std::shared_ptr<IntVector> iwork, int liwork);
182 int PSI_DGEEV(int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> wr,
183  std::shared_ptr<Vector> wi, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr,
184  std::shared_ptr<Vector> work, int lwork);
186 int PSI_DGEEVX(int irrep, char balanc, char jobvl, char jobvr, char sense, int n, SharedMatrix a, int lda,
187  std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, SharedMatrix vl, int ldvl, SharedMatrix vr,
188  int ldvr, std::shared_ptr<IntVector> ilo, std::shared_ptr<IntVector> ihi, std::shared_ptr<Vector> scale,
189  std::shared_ptr<Vector> abnrm, std::shared_ptr<Vector> rconde, std::shared_ptr<Vector> rcondv,
190  std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork);
192 int PSI_DGEGS(int irrep, char jobvsl, char jobvsr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
193  std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai, std::shared_ptr<Vector> beta,
194  SharedMatrix vsl, int ldvsl, SharedMatrix vsr, int ldvsr, std::shared_ptr<Vector> work, int lwork);
196 int PSI_DGEGV(int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
197  std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai, std::shared_ptr<Vector> beta,
198  SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr<Vector> work, int lwork);
200 int PSI_DGEHRD(int irrep, int n, int ilo, int ihi, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
201  std::shared_ptr<Vector> work, int lwork);
203 int PSI_DGELQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
204  std::shared_ptr<Vector> work, int lwork);
206 int PSI_DGELS(int irrep, char trans, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb,
207  std::shared_ptr<Vector> work, int lwork);
209 int PSI_DGELSD(int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb,
210  std::shared_ptr<Vector> s, double rcond, std::shared_ptr<IntVector> rank, std::shared_ptr<Vector> work,
211  int lwork, std::shared_ptr<IntVector> iwork);
213 int PSI_DGELSS(int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb,
214  std::shared_ptr<Vector> s, double rcond, std::shared_ptr<IntVector> rank, std::shared_ptr<Vector> work,
215  int lwork);
217 int PSI_DGELSX(int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb,
218  std::shared_ptr<IntVector> jpvt, double rcond, std::shared_ptr<IntVector> rank,
219  std::shared_ptr<Vector> work);
221 int PSI_DGELSY(int irrep, int m, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb,
222  std::shared_ptr<IntVector> jpvt, double rcond, std::shared_ptr<IntVector> rank,
223  std::shared_ptr<Vector> work, int lwork);
225 int PSI_DGEQLF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
226  std::shared_ptr<Vector> work, int lwork);
228 int PSI_DGEQP3(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> jpvt,
229  std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
231 int PSI_DGEQPF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> jpvt,
232  std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work);
234 int PSI_DGERFS(int irrep, char trans, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
235  std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
236  std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work,
237  std::shared_ptr<IntVector> iwork);
239 int PSI_DGERQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
240  std::shared_ptr<Vector> work, int lwork);
242 int PSI_DGESDD(int irrep, char jobz, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> s, SharedMatrix u,
243  int ldu, SharedMatrix vt, int ldvt, std::shared_ptr<Vector> work, int lwork,
244  std::shared_ptr<IntVector> iwork);
246 int PSI_DGESV(int irrep, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, SharedMatrix b,
247  int ldb);
249 int PSI_DGESVX(int irrep, char fact, char trans, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
250  std::shared_ptr<IntVector> ipiv, char equed, std::shared_ptr<Vector> r, std::shared_ptr<Vector> c,
251  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> rcond,
252  std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work,
253  std::shared_ptr<IntVector> iwork);
255 int PSI_DGETRF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv);
257 int PSI_DGETRI(int irrep, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, std::shared_ptr<Vector> work,
258  int lwork);
260 int PSI_DGETRS(int irrep, char trans, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv,
261  SharedMatrix b, int ldb);
263 int PSI_DGGBAK(int irrep, char job, char side, int n, int ilo, int ihi, std::shared_ptr<Vector> lscale,
264  std::shared_ptr<Vector> rscale, int m, SharedMatrix v, int ldv);
266 int PSI_DGGBAL(int irrep, char job, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
267  std::shared_ptr<IntVector> ilo, std::shared_ptr<IntVector> ihi, std::shared_ptr<Vector> lscale,
268  std::shared_ptr<Vector> rscale, std::shared_ptr<Vector> work);
270 int PSI_DGGES(int irrep, char jobvsl, char jobvsr, char sort, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
271  std::shared_ptr<IntVector> sdim, std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai,
272  std::shared_ptr<Vector> beta, SharedMatrix vsl, int ldvsl, SharedMatrix vsr, int ldvsr,
273  std::shared_ptr<Vector> work, int lwork);
275 int PSI_DGGESX(int irrep, char jobvsl, char jobvsr, char sort, char sense, int n, SharedMatrix a, int lda,
276  SharedMatrix b, int ldb, std::shared_ptr<IntVector> sdim, std::shared_ptr<Vector> alphar,
277  std::shared_ptr<Vector> alphai, std::shared_ptr<Vector> beta, SharedMatrix vsl, int ldvsl,
278  SharedMatrix vsr, int ldvsr, std::shared_ptr<Vector> rconde, std::shared_ptr<Vector> rcondv,
279  std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork, int liwork);
281 int PSI_DGGEV(int irrep, char jobvl, char jobvr, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
282  std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai, std::shared_ptr<Vector> beta,
283  SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr<Vector> work, int lwork);
285 int PSI_DGGEVX(int irrep, char balanc, char jobvl, char jobvr, char sense, int n, SharedMatrix a, int lda,
286  SharedMatrix b, int ldb, std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai,
287  std::shared_ptr<Vector> beta, SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr,
288  std::shared_ptr<IntVector> ilo, std::shared_ptr<IntVector> ihi, std::shared_ptr<Vector> lscale,
289  std::shared_ptr<Vector> rscale, std::shared_ptr<Vector> abnrm, std::shared_ptr<Vector> bbnrm,
290  std::shared_ptr<Vector> rconde, std::shared_ptr<Vector> rcondv, std::shared_ptr<Vector> work, int lwork,
291  std::shared_ptr<IntVector> iwork);
293 int PSI_DGGGLM(int irrep, int n, int m, int p, SharedMatrix a, int lda, SharedMatrix b, int ldb,
294  std::shared_ptr<Vector> d, std::shared_ptr<Vector> x, std::shared_ptr<Vector> y,
295  std::shared_ptr<Vector> work, int lwork);
297 int PSI_DGGHRD(int irrep, char compq, char compz, int n, int ilo, int ihi, SharedMatrix a, int lda, SharedMatrix b,
298  int ldb, SharedMatrix q, int ldq, SharedMatrix z, int ldz);
300 int PSI_DGGLSE(int irrep, int m, int n, int p, SharedMatrix a, int lda, SharedMatrix b, int ldb,
301  std::shared_ptr<Vector> c, std::shared_ptr<Vector> d, std::shared_ptr<Vector> x,
302  std::shared_ptr<Vector> work, int lwork);
304 int PSI_DGGQRF(int irrep, int n, int m, int p, SharedMatrix a, int lda, std::shared_ptr<Vector> taua, SharedMatrix b,
305  int ldb, std::shared_ptr<Vector> taub, std::shared_ptr<Vector> work, int lwork);
307 int PSI_DGGRQF(int irrep, int m, int p, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> taua, SharedMatrix b,
308  int ldb, std::shared_ptr<Vector> taub, std::shared_ptr<Vector> work, int lwork);
310 int PSI_DGGSVD(int irrep, char jobu, char jobv, char jobq, int m, int n, int p, std::shared_ptr<IntVector> k,
311  std::shared_ptr<IntVector> l, SharedMatrix a, int lda, SharedMatrix b, int ldb,
312  std::shared_ptr<Vector> alpha, std::shared_ptr<Vector> beta, SharedMatrix u, int ldu, SharedMatrix v,
313  int ldv, SharedMatrix q, int ldq, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
315 int PSI_DGGSVP(int irrep, char jobu, char jobv, char jobq, int m, int p, int n, SharedMatrix a, int lda, SharedMatrix b,
316  int ldb, double tola, double tolb, std::shared_ptr<IntVector> k, std::shared_ptr<IntVector> l,
317  SharedMatrix u, int ldu, SharedMatrix v, int ldv, SharedMatrix q, int ldq,
318  std::shared_ptr<IntVector> iwork, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work);
320 int PSI_DGTCON(int irrep, char norm, int n, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d,
321  std::shared_ptr<Vector> du, std::shared_ptr<Vector> du2, std::shared_ptr<IntVector> ipiv, double anorm,
322  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
324 int PSI_DGTRFS(int irrep, char trans, int n, int nrhs, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d,
325  std::shared_ptr<Vector> du, std::shared_ptr<Vector> dlf, std::shared_ptr<Vector> df,
326  std::shared_ptr<Vector> duf, std::shared_ptr<Vector> du2, std::shared_ptr<IntVector> ipiv,
327  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> ferr,
328  std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
330 int PSI_DGTSV(int irrep, int n, int nrhs, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d,
331  std::shared_ptr<Vector> du, SharedMatrix b, int ldb);
333 int PSI_DGTSVX(int irrep, char fact, char trans, int n, int nrhs, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d,
334  std::shared_ptr<Vector> du, std::shared_ptr<Vector> dlf, std::shared_ptr<Vector> df,
335  std::shared_ptr<Vector> duf, std::shared_ptr<Vector> du2, std::shared_ptr<IntVector> ipiv,
336  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> rcond);
338 int PSI_DGTTRF(int irrep, int n, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d, std::shared_ptr<Vector> du,
339  std::shared_ptr<Vector> du2, std::shared_ptr<IntVector> ipiv);
341 int PSI_DGTTRS(int irrep, char trans, int n, int nrhs, std::shared_ptr<Vector> dl, std::shared_ptr<Vector> d,
342  std::shared_ptr<Vector> du, std::shared_ptr<Vector> du2, std::shared_ptr<IntVector> ipiv, SharedMatrix b,
343  int ldb);
345 int PSI_DHGEQZ(int irrep, char job, char compq, char compz, int n, int ilo, int ihi, SharedMatrix h, int ldh,
346  SharedMatrix t, int ldt, std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai,
347  std::shared_ptr<Vector> beta, SharedMatrix q, int ldq, SharedMatrix z, int ldz,
348  std::shared_ptr<Vector> work, int lwork);
350 int PSI_DHSEIN(int irrep, char side, char eigsrc, char initv, int n, SharedMatrix h, int ldh,
351  std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, SharedMatrix vl, int ldvl, SharedMatrix vr,
352  int ldvr, int mm, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> work,
353  std::shared_ptr<IntVector> ifaill, std::shared_ptr<IntVector> ifailr);
355 int PSI_DHSEQR(int irrep, char job, char compz, int n, int ilo, int ihi, SharedMatrix h, int ldh,
356  std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, SharedMatrix z, int ldz,
357  std::shared_ptr<Vector> work, int lwork);
359 int PSI_DORGBR(int irrep, char vect, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
360  std::shared_ptr<Vector> work, int lwork);
362 int PSI_DORGHR(int irrep, int n, int ilo, int ihi, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
363  std::shared_ptr<Vector> work, int lwork);
365 int PSI_DORGLQ(int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
366  std::shared_ptr<Vector> work, int lwork);
368 int PSI_DORGQL(int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
369  std::shared_ptr<Vector> work, int lwork);
371 int PSI_DORGQR(int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
372  std::shared_ptr<Vector> work, int lwork);
374 int PSI_DORGRQ(int irrep, int m, int n, int k, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
375  std::shared_ptr<Vector> work, int lwork);
377 int PSI_DORGTR(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
378  std::shared_ptr<Vector> work, int lwork);
380 int PSI_DORMBR(int irrep, char vect, char side, char trans, int m, int n, int k, std::shared_ptr<Vector> a, int lda,
381  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
383 int PSI_DORMHR(int irrep, char side, char trans, int m, int n, int ilo, int ihi, std::shared_ptr<Vector> a, int lda,
384  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
386 int PSI_DORMLQ(int irrep, char side, char trans, int m, int n, int k, std::shared_ptr<Vector> a, int lda,
387  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
389 int PSI_DORMQL(int irrep, char side, char trans, int m, int n, int k, SharedMatrix a, int lda,
390  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
392 int PSI_DORMQR(int irrep, char side, char trans, int m, int n, int k, SharedMatrix a, int lda,
393  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
395 int PSI_DORMR3(int irrep, char side, char trans, int m, int n, int k, int l, std::shared_ptr<Vector> a, int lda,
396  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work);
398 int PSI_DORMRQ(int irrep, char side, char trans, int m, int n, int k, std::shared_ptr<Vector> a, int lda,
399  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
401 int PSI_DORMRZ(int irrep, char side, char trans, int m, int n, int k, int l, std::shared_ptr<Vector> a, int lda,
402  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
404 int PSI_DORMTR(int irrep, char side, char uplo, char trans, int m, int n, std::shared_ptr<Vector> a, int lda,
405  std::shared_ptr<Vector> tau, SharedMatrix c, int ldc, std::shared_ptr<Vector> work, int lwork);
407 int PSI_DPBCON(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab, double anorm,
408  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
410 int PSI_DPBEQU(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr<Vector> s,
411  std::shared_ptr<Vector> scond, std::shared_ptr<Vector> amax);
413 int PSI_DPBRFS(int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb, int ldafb,
414  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> ferr,
415  std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
417 int PSI_DPBSTF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab);
419 int PSI_DPBSV(int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb);
421 int PSI_DPBSVX(int irrep, char fact, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix afb,
422  int ldafb, char equed, std::shared_ptr<Vector> s, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
423  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr,
424  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
426 int PSI_DPBTRF(int irrep, char uplo, int n, int kd, SharedMatrix ab, int ldab);
428 int PSI_DPBTRS(int irrep, char uplo, int n, int kd, int nrhs, SharedMatrix ab, int ldab, SharedMatrix b, int ldb);
430 int PSI_DPOCON(int irrep, char uplo, int n, SharedMatrix a, int lda, double anorm, std::shared_ptr<Vector> rcond,
431  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
433 int PSI_DPOEQU(int irrep, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> s, std::shared_ptr<Vector> scond,
434  std::shared_ptr<Vector> amax);
436 int PSI_DPORFS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
437  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> ferr,
438  std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
440 int PSI_DPOSV(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb);
442 int PSI_DPOSVX(int irrep, char fact, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
443  char equed, std::shared_ptr<Vector> s, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
444  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr,
445  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
447 int PSI_DPOTRF(int irrep, char uplo, int n, SharedMatrix a, int lda);
449 int PSI_DPOTRI(int irrep, char uplo, int n, SharedMatrix a, int lda);
451 int PSI_DPOTRS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b, int ldb);
453 int PSI_DPTCON(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, double anorm,
454  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work);
456 int PSI_DPTEQR(int irrep, char compz, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix z,
457  int ldz, std::shared_ptr<Vector> work);
459 int PSI_DPTRFS(int irrep, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e,
460  std::shared_ptr<Vector> df, std::shared_ptr<Vector> ef, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
461  std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work);
463 int PSI_DPTSV(int irrep, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix b,
464  int ldb);
466 int PSI_DPTSVX(int irrep, char fact, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e,
467  std::shared_ptr<Vector> df, std::shared_ptr<Vector> ef, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
468  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr,
469  std::shared_ptr<Vector> work);
471 int PSI_DPTTRF(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e);
473 int PSI_DPTTRS(int irrep, int n, int nrhs, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix b,
474  int ldb);
476 int PSI_DSBEV(int irrep, char jobz, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr<Vector> w,
477  SharedMatrix z, int ldz, std::shared_ptr<Vector> work);
479 int PSI_DSBEVD(int irrep, char jobz, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr<Vector> w,
480  SharedMatrix z, int ldz, std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork,
481  int liwork);
483 int PSI_DSBEVX(int irrep, char jobz, char range, char uplo, int n, int kd, SharedMatrix ab, int ldab, SharedMatrix q,
484  int ldq, double vl, double vu, int il, int iu, double abstol, std::shared_ptr<IntVector> m,
485  std::shared_ptr<Vector> w, SharedMatrix z, int ldz, std::shared_ptr<Vector> work,
486  std::shared_ptr<IntVector> iwork, std::shared_ptr<IntVector> ifail);
488 int PSI_DSBGST(int irrep, char vect, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb,
489  int ldbb, SharedMatrix x, int ldx, std::shared_ptr<Vector> work);
491 int PSI_DSBGV(int irrep, char jobz, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb,
492  int ldbb, std::shared_ptr<Vector> w, SharedMatrix z, int ldz, std::shared_ptr<Vector> work);
494 int PSI_DSBGVD(int irrep, char jobz, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab, SharedMatrix bb,
495  int ldbb, std::shared_ptr<Vector> w, SharedMatrix z, int ldz, std::shared_ptr<Vector> work, int lwork,
496  std::shared_ptr<IntVector> iwork, int liwork);
498 int PSI_DSBGVX(int irrep, char jobz, char range, char uplo, int n, int ka, int kb, SharedMatrix ab, int ldab,
499  SharedMatrix bb, int ldbb, SharedMatrix q, int ldq, double vl, double vu, int il, int iu, double abstol,
500  std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w, SharedMatrix z, int ldz,
501  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork, std::shared_ptr<IntVector> ifail);
503 int PSI_DSBTRD(int irrep, char vect, char uplo, int n, int kd, SharedMatrix ab, int ldab, std::shared_ptr<Vector> d,
504  std::shared_ptr<Vector> e, SharedMatrix q, int ldq, std::shared_ptr<Vector> work);
506 int PSI_DSGESV(int irrep, int n, int nrhs, std::shared_ptr<Vector> a, int lda, std::shared_ptr<IntVector> ipiv,
507  SharedMatrix b, int ldb, SharedMatrix x, int ldx, SharedMatrix work, std::shared_ptr<IntVector> iter);
509 int PSI_DSTEBZ(int irrep, char range, char order, int n, double vl, double vu, int il, int iu, double abstol,
510  std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, std::shared_ptr<IntVector> m,
511  std::shared_ptr<IntVector> nsplit, std::shared_ptr<Vector> w, std::shared_ptr<IntVector> iblock,
512  std::shared_ptr<IntVector> isplit, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
514 int PSI_DSTEDC(int irrep, char compz, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix z,
515  int ldz, std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork, int liwork);
517 int PSI_DSTEGR(int irrep, char jobz, char range, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, double vl,
518  double vu, int il, int iu, double abstol, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w,
519  SharedMatrix z, int ldz, std::shared_ptr<IntVector> isuppz, std::shared_ptr<Vector> work, int lwork,
520  std::shared_ptr<IntVector> iwork, int liwork);
522 int PSI_DSTEIN(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, int m, std::shared_ptr<Vector> w,
523  std::shared_ptr<IntVector> iblock, std::shared_ptr<IntVector> isplit, SharedMatrix z, int ldz,
524  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork, std::shared_ptr<IntVector> ifail);
526 int PSI_DSTEQR(int irrep, char compz, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix z,
527  int ldz, std::shared_ptr<Vector> work);
529 int PSI_DSTERF(int irrep, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e);
531 int PSI_DSTEV(int irrep, char jobz, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix z,
532  int ldz, std::shared_ptr<Vector> work);
534 int PSI_DSTEVD(int irrep, char jobz, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, SharedMatrix z,
535  int ldz, std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork, int liwork);
537 int PSI_DSTEVR(int irrep, char jobz, char range, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, double vl,
538  double vu, int il, int iu, double abstol, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w,
539  SharedMatrix z, int ldz, std::shared_ptr<IntVector> isuppz, std::shared_ptr<Vector> work, int lwork,
540  std::shared_ptr<IntVector> iwork, int liwork);
542 int PSI_DSTEVX(int irrep, char jobz, char range, int n, std::shared_ptr<Vector> d, std::shared_ptr<Vector> e, double vl,
543  double vu, int il, int iu, double abstol, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w,
544  SharedMatrix z, int ldz, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork,
545  std::shared_ptr<IntVector> ifail);
547 int PSI_DSYCON(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv, double anorm,
548  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
550 int PSI_DSYEV(int irrep, char jobz, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> w,
551  std::shared_ptr<Vector> work, int lwork);
553 int PSI_DSYEVD(int irrep, char jobz, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> w,
554  std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork, int liwork);
556 int PSI_DSYEVR(int irrep, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, double vl, double vu,
557  int il, int iu, double abstol, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w, SharedMatrix z,
558  int ldz, std::shared_ptr<IntVector> isuppz, std::shared_ptr<Vector> work, int lwork,
559  std::shared_ptr<IntVector> iwork, int liwork);
561 int PSI_DSYEVX(int irrep, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, double vl, double vu,
562  int il, int iu, double abstol, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> w, SharedMatrix z,
563  int ldz, std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork,
564  std::shared_ptr<IntVector> ifail);
566 int PSI_DSYGST(int irrep, int itype, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb);
568 int PSI_DSYGV(int irrep, int itype, char jobz, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
569  std::shared_ptr<Vector> w, std::shared_ptr<Vector> work, int lwork);
571 int PSI_DSYGVD(int irrep, int itype, char jobz, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
572  std::shared_ptr<Vector> w, std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork,
573  int liwork);
575 int PSI_DSYGVX(int irrep, int itype, char jobz, char range, char uplo, int n, SharedMatrix a, int lda, SharedMatrix b,
576  int ldb, double vl, double vu, int il, int iu, double abstol, std::shared_ptr<IntVector> m,
577  std::shared_ptr<Vector> w, SharedMatrix z, int ldz, std::shared_ptr<Vector> work, int lwork,
578  std::shared_ptr<IntVector> iwork, std::shared_ptr<IntVector> ifail);
580 int PSI_DSYRFS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
581  std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
582  std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work,
583  std::shared_ptr<IntVector> iwork);
585 int PSI_DSYSV(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv,
586  SharedMatrix b, int ldb, std::shared_ptr<Vector> work, int lwork);
588 int PSI_DSYSVX(int irrep, char fact, char uplo, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix af, int ldaf,
589  std::shared_ptr<IntVector> ipiv, SharedMatrix b, int ldb, SharedMatrix x, int ldx,
590  std::shared_ptr<Vector> rcond);
592 int PSI_DSYTRD(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> d,
593  std::shared_ptr<Vector> e, std::shared_ptr<Vector> tau, std::shared_ptr<Vector> work, int lwork);
595 int PSI_DSYTRF(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv,
596  std::shared_ptr<Vector> work, int lwork);
598 int PSI_DSYTRI(int irrep, char uplo, int n, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv,
599  std::shared_ptr<Vector> work);
601 int PSI_DSYTRS(int irrep, char uplo, int n, int nrhs, SharedMatrix a, int lda, std::shared_ptr<IntVector> ipiv,
602  SharedMatrix b, int ldb);
604 int PSI_DTBCON(int irrep, char norm, char uplo, char diag, int n, int kd, SharedMatrix ab, int ldab,
605  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
607 int PSI_DTBRFS(int irrep, char uplo, char trans, char diag, int n, int kd, int nrhs, SharedMatrix ab, int ldab,
608  SharedMatrix b, int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> ferr,
609  std::shared_ptr<Vector> berr, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
611 int PSI_DTBTRS(int irrep, char uplo, char trans, char diag, int n, int kd, int nrhs, SharedMatrix ab, int ldab,
612  SharedMatrix b, int ldb);
614 int PSI_DTGEVC(int irrep, char side, char howmny, int n, SharedMatrix s, int lds, SharedMatrix p, int ldp,
615  SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, int mm, std::shared_ptr<IntVector> m,
616  std::shared_ptr<Vector> work);
618 int PSI_DTGEXC(int irrep, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb, SharedMatrix q, int ldq,
619  SharedMatrix z, int ldz, std::shared_ptr<IntVector> ifst, std::shared_ptr<IntVector> ilst,
620  std::shared_ptr<Vector> work, int lwork);
622 int PSI_DTGSEN(int irrep, int ijob, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
623  std::shared_ptr<Vector> alphar, std::shared_ptr<Vector> alphai, std::shared_ptr<Vector> beta,
624  SharedMatrix q, int ldq, SharedMatrix z, int ldz, std::shared_ptr<IntVector> m,
625  std::shared_ptr<Vector> pl, std::shared_ptr<Vector> pr, std::shared_ptr<Vector> dif,
626  std::shared_ptr<Vector> work, int lwork, std::shared_ptr<IntVector> iwork, int liwork);
628 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,
629  SharedMatrix b, int ldb, double tola, double tolb, std::shared_ptr<Vector> alpha,
630  std::shared_ptr<Vector> beta, SharedMatrix u, int ldu, SharedMatrix v, int ldv, SharedMatrix q, int ldq,
631  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> ncycle);
633 int PSI_DTGSNA(int irrep, char job, char howmny, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
634  SharedMatrix vl, int ldvl, SharedMatrix vr, int ldvr, std::shared_ptr<Vector> s,
635  std::shared_ptr<Vector> dif, int mm, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> work,
636  int lwork, std::shared_ptr<IntVector> iwork);
638 int PSI_DTGSYL(int irrep, char trans, int ijob, int m, int n, SharedMatrix a, int lda, SharedMatrix b, int ldb,
639  SharedMatrix c, int ldc, SharedMatrix d, int ldd, SharedMatrix e, int lde, SharedMatrix f, int ldf,
640  std::shared_ptr<Vector> dif, std::shared_ptr<Vector> scale, std::shared_ptr<Vector> work, int lwork,
641  std::shared_ptr<IntVector> iwork);
643 int PSI_DTRCON(int irrep, char norm, char uplo, char diag, int n, SharedMatrix a, int lda,
644  std::shared_ptr<Vector> rcond, std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
646 int PSI_DTREVC(int irrep, char side, char howmny, int n, SharedMatrix t, int ldt, SharedMatrix vl, int ldvl,
647  SharedMatrix vr, int ldvr, int mm, std::shared_ptr<IntVector> m, std::shared_ptr<Vector> work);
649 int PSI_DTREXC(int irrep, char compq, int n, SharedMatrix t, int ldt, SharedMatrix q, int ldq,
650  std::shared_ptr<IntVector> ifst, std::shared_ptr<IntVector> ilst, std::shared_ptr<Vector> work);
652 int PSI_DTRRFS(int irrep, char uplo, char trans, char diag, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b,
653  int ldb, SharedMatrix x, int ldx, std::shared_ptr<Vector> ferr, std::shared_ptr<Vector> berr,
654  std::shared_ptr<Vector> work, std::shared_ptr<IntVector> iwork);
656 int PSI_DTRSEN(int irrep, char job, char compq, int n, SharedMatrix t, int ldt, SharedMatrix q, int ldq,
657  std::shared_ptr<Vector> wr, std::shared_ptr<Vector> wi, std::shared_ptr<IntVector> m,
658  std::shared_ptr<Vector> s, std::shared_ptr<Vector> sep, std::shared_ptr<Vector> work, int lwork,
659  std::shared_ptr<IntVector> iwork, int liwork);
661 int PSI_DTRSNA(int irrep, char job, char howmny, int n, SharedMatrix t, int ldt, SharedMatrix vl, int ldvl,
662  SharedMatrix vr, int ldvr, std::shared_ptr<Vector> s, std::shared_ptr<Vector> sep, int mm,
663  std::shared_ptr<IntVector> m, SharedMatrix work, int ldwork, std::shared_ptr<IntVector> iwork);
665 int PSI_DTRSYL(int irrep, char trana, char tranb, int isgn, int m, int n, SharedMatrix a, int lda, SharedMatrix b,
666  int ldb, SharedMatrix c, int ldc, std::shared_ptr<Vector> scale);
668 int PSI_DTRTRI(int irrep, char uplo, char diag, int n, SharedMatrix a, int lda);
670 int PSI_DTRTRS(int irrep, char uplo, char trans, char diag, int n, int nrhs, SharedMatrix a, int lda, SharedMatrix b,
671  int ldb);
673 int PSI_DTZRQF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau);
675 int PSI_DTZRZF(int irrep, int m, int n, SharedMatrix a, int lda, std::shared_ptr<Vector> tau,
676  std::shared_ptr<Vector> work, int lwork);
677 } // namespace psi
678 #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:995
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:899
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:936
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:797
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:539
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:614
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:1070
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:1108
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:680
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:942
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:1090
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:169
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:103
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:662
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:261
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:280
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:360
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:57
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:931
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:783
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:735
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:392
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:841
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:62
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:424
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:739
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:113
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:922
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:509
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:787
double df[MAX_DF]
Definition: wavefunction.cc:66
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:1153
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:73
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:475
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:562
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:722
void PSI_DROT(int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy, double c, double s)
PSI_DROT, a wrapper to C_DROT using objects.
Definition: psimath.cc:129
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:409
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:224
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:397
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:1054
double ** u
Definition: dx_write.cc:57
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:203
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:1170
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
double PSI_DNRM2(int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
PSI_DNRM2, a wrapper to C_DNRM2 using objects.
Definition: psimath.cc:155
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:339
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:884
double PSI_DASUM(int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
PSI_DASUM, a wrapper to C_DASUM using objects.
Definition: psimath.cc:159
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:710
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:1117
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:447
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:521
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:1097
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:878
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:1078
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:792
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:1188
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:629
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:87
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:307
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:914
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:333
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:986
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:584
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:67
void PSI_DSWAP(int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DSWAP, a wrapper to C_DSWAP using objects.
Definition: psimath.cc:134
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:1036
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:779
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:634
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:951
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:467
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:255
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:927
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:219
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:692
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:862
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:766
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:1135
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:810
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:502
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:40
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:905
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:515
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:704
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:966
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:828
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:235
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:571
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:52
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:977
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:1049
void PSI_DSCAL(int irrep, size_t n, double alpha, std::shared_ptr< Vector > x, int incx)
PSI_DSCAL, a wrapper to C_DSCAL using objects.
Definition: psimath.cc:142
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:250
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:346
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:372
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:698
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:530
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:674
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:557
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:315
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:456
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:656
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:434
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:118
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:577
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:644
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:869
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:210
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:1141
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:960
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:353
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:546
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:1021
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:98
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:718
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:296
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:639
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:123
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:890
void PSI_DCOPY(int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DCOPY, a wrapper to C_DCOPY using objects.
Definition: psimath.cc:138
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:177
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:593
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:819
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:834
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:440
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:245
std::shared_ptr< Matrix > SharedMatrix
Definition: adc.h:49
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:749
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:1043
CCTransform * trans
Definition: psimrcc/main.cc:80
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:383
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:762
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:856
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:1193
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:609
double PSI_DDOT(int irrep, size_t n, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DDOT, a wrapper to C_DDOT using objects.
Definition: psimath.cc:151
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:668
size_t PSI_IDAMAX(int irrep, size_t n, std::shared_ptr< Vector > x, int incx)
PSI_IDAMAX, a wrapper to C_IDAMAX using objects.
Definition: psimath.cc:163
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:273
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:1197
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:650
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:624
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:686
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:850
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:46
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:971
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:1147
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:1012
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:619
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:1005
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:239
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:108
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:489
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:754
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:1178
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:1030
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:1083
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:196
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:367
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:496
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:999
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:404
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:1126
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:82
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:1161
void diag()
Definition: diag.cc:134
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:602
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:743
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:289
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:78
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:1059
void PSI_DAXPY(int irrep, size_t n, double alpha, std::shared_ptr< Vector > x, int incx, std::shared_ptr< Vector > y, int incy)
PSI_DAXPY, a wrapper to C_DAXPY using objects.
Definition: psimath.cc:146
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:328
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:805
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:93
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:184
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:378
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:323
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:823
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:1184
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:775
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:429
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:267
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:420
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:1064
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:726