include/gmx_lapack.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
   5  * Copyright (c) 2001-2008, The GROMACS development team,
   6  * check out http://www.gromacs.org for more information.
   7  * Copyright (c) 2012,2013, by the GROMACS development team, led by
   8  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
   9  * others, as listed in the AUTHORS file in the top-level source
  10  * directory and at http://www.gromacs.org.
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  38
  39 #ifndef _GMX_LAPACK_H_
  40 #define _GMX_LAPACK_H_
  41
  42 #include "visibility.h"
  43 /** @file
  44  *
  45  *  @brief Header definitions for the standard LAPACK library.
  46  *
  47  * This is the subset of LAPACK routines used for the
  48  * linear algebra operations in Gromacs. Most of the execution time
  49  * will be spent in the BLAS routines, which you hopefully have an
  50  * optimized version of. Gromacs includes reference implementations
  51  * of both BLAS and LAPACK so it compiles everywhere, but you should
  52  * really try to find a vendor or otherwise optimized version at least
  53  * of BLAS for better performance.
  54  *
  55  * Do NOT use this code for other purposes - we only provide this as a
  56  * simple fallback/reference implementation when no optimized BLAS
  57  * is present. If you need an implementation for your own code
  58  * there are several much faster versions out there.
  59  *
  60  * All routines are compatible with the LAPACK/BLAS reference implementations,
  61  * meaning they assume fortran-style matrix row/column organization.
  62  *
  63  * There is plenty of documentation for these routines available
  64  * at http://www.netlib.org/lapack , so there is no point in repeating
  65  * it here.
  66  */
  67
  68
  69
  70 #ifdef __cplusplus
  71 extern "C" {
  72 #endif
  73 #if 0
  74 }
  75 #endif
  76
  77 #include "types/simple.h"
  78
  79 /* Suppress Cygwin compiler warnings from using newlib version of
  80  * ctype.h */
  81 #ifdef GMX_CYGWIN
  82 #undef toupper
  83 #endif
  84
  85 /* Double precision */
  86
  87 void
  88     F77_FUNC(dbdsdc, DBDSDC) (const char *uplo, const char *compq, int *n, double *d, double *e, double *u,
  89                               int *ldu, double *vt, int *ldvt, double *q, int *iq, double *work,
  90                               int *iwork, int *info);
  91
  92 void
  93     F77_FUNC(dgetf2, DGETF2) (int *m, int *n, double *a, int *lda, int *ipiv, int *info);
  94
  95 void
  96     F77_FUNC(dlamrg, DLAMRG) (int *n1, int *n2, double *a, int *dtrd1, int *dtrd2, int *index);
  97
  98 void
  99     F77_FUNC(dlarnv, DLARNV) (int *idist, int *iseed, int *n, double *x);
 100
 101 void
 102     F77_FUNC(dlasd0, DLASD0) (int *n, int *sqre, double *d, double *e, double *u,
 103                               int *ldu, double *vt, int *ldvt, int *smlsiz, int *iwork,
 104                               double *work, int *info);
 105
 106 void
 107     F77_FUNC(dlasda, DLASDA) (int *icompq, int *smlsiz, int *n, int *sqre, double *d, double *e,
 108                               double *u, int *ldu, double *vt, int *k, double *difl, double *difr,
 109                               double *z, double *poles, int *givptr, int *givcol, int *ldgcol,
 110                               int *perm, double *givnum, double *c, double *s,
 111                               double *work, int *iwork, int *info);
 112
 113 void
 114     F77_FUNC(dlasq6, DLASQ6) (int *i0, int *n0, double *z, int *pp, double *dmin, double *dmin1,
 115                               double *dmin2, double *dn, double *dnm1, double *dnm2);
 116
 117 void
 118     F77_FUNC(dorgl2, DORGL2) (int *m, int *n, int *k, double *a, int *lda,
 119                               double *tau, double *work, int *info);
 120
 121 void
 122     F77_FUNC(dbdsqr, DBDSQR) (const char *uplo, int *n, int *ncvt, int *nru, int *ncc, double *d,
 123                               double *e, double *vt, int *ldvt, double *u, int *ldu,
 124                               double *c, int *ldc, double *work, int *info);
 125
 126 void
 127     F77_FUNC(dgetrf, DGETRF) (int *m, int *n, double *a, int *lda, int *ipiv, int *info);
 128
 129 void
 130     F77_FUNC(dgetri, DGETRI) (int *n, double *a, int *lda, int *ipiv, double *work,
 131                               int *lwork, int *info);
 132
 133 void
 134     F77_FUNC(dgetrs, DGETRS) (const char *trans, int *n, int *nrhs,   double *a, int *lda, int *ipiv,
 135                               double *b, int *ldb, int *info);
 136
 137 void
 138     F77_FUNC(dtrtri, DTRTRI) (const char *uplo, const char *diag, int *n, double *a, int *lda, int *info);
 139
 140 void
 141     F77_FUNC(dtrti2, DTRTI2) (const char *uplo, const char *diag, int *n, double *a, int *lda, int *info);
 142
 143 double
 144     F77_FUNC(dlange, DLANGE) (const char *norm, int *m, int *n, double *a, int *lda, double *work);
 145
 146 void
 147     F77_FUNC(dlarrbx, DLARRBX) (int *n, double *d, double *l, double *ld, double *lld, int *ifirst,
 148                                 int *ilast, double *rtol1, double *rtol2, int *offset, double *w,
 149                                 double *wgap, double *werr, double *work, int *iwork, int *info);
 150
 151 void
 152     F77_FUNC(dlasd1, DLASD1) (int *nl, int *nr, int *sqre, double *d, double *alpha, double *beta,
 153                               double *u, int *ldu, double *vt, int *ldvt, int *idxq, int *iwork,
 154                               double *work, int *info);
 155
 156 void
 157     F77_FUNC(dlasdq, DLASDQ) (const char *uplo, int *sqre, int *n, int *ncvt, int *nru, int *ncc,
 158                               double *d, double *e, double *vt, int *ldvt, double *u, int *ldu,
 159                               double *c, int *ldc, double *work, int *info);
 160
 161 void
 162     F77_FUNC(dlasr, DLASR) (const char *side, const char *pivot, const char *direct, int *m, int *n, double *c,
 163                             double *s, double *a, int *lda);
 164
 165 void
 166     F77_FUNC(dorglq, DORGLQ) (int *m, int *n, int *k, double *a, int *lda,
 167                               double *tau, double *work, int *lwork, int *info);
 168
 169 void
 170     F77_FUNC(dormtr, DORMTR) (const char *side, const char *uplo, const char *trans, int *m, int *n, double *a,
 171                               int *lda, double *tau, double *c, int *ldc,
 172                               double *work, int *lwork, int *info);
 173
 174 void
 175     F77_FUNC(dgebd2, DGEBD2) (int *m, int *n, double *a, int *lda, double *d, double *e,
 176                               double *tauq, double *taup, double *work, int *info);
 177
 178 void
 179     F77_FUNC(dlabrd, DLABRD) (int *m, int *n, int *nb, double *a, int *lda, double *d,
 180                               double *e, double *tauq, double *taup, double *x,
 181                               int *ldx, double *y, int *ldy);
 182
 183 double
 184     F77_FUNC(dlanst, DLANST) (const char *norm, int *n, double *d, double *e);
 185
 186 double
 187     F77_FUNC(dlansy, DLANSY) (const char *norm, const char *uplo, int *n, double *a, int *lda, double *work);
 188
 189 void
 190     F77_FUNC(dlarrex, DLARREX) (const char *range, int *n, double *vl, double *vu, int *il, int *iu,
 191                                 double *d, double *e, double *tol, int *nsplit,
 192                                 int *isplit, int *m, double *w, int *iblock, int *indexw,
 193                                 double *gersch, double *work, int *iwork, int *info);
 194
 195 void
 196     F77_FUNC(dlasd2, DLASD2) (int *nl, int *nr, int *sqre, int *k, double *d, double *z,
 197                               double *alpha, double *beta, double *u, int *ldu, double *vt,
 198                               int *ldvt, double *dsigma, double *u2, int *ldu2, double *vt2,
 199                               int *ldvt2, int *idxp, int *idx, int *idxc,
 200                               int *idxq, int *coltyp, int *info);
 201
 202 void
 203     F77_FUNC(dlasdt, DLASDT) (int *n, int *lvl, int *nd, int *inode, int *ndiml,
 204                               int *ndimr, int *msub);
 205
 206 void
 207     F77_FUNC(dlasrt, DLASRT) (const char *id, int *n, double *d, int *info);
 208
 209 void
 210     F77_FUNC(dlasrt2, DLASRT2) (const char *id, int *n, double *d, int *key, int *info);
 211
 212 void
 213     F77_FUNC(ilasrt2, ILASRT2) (const char *id, int *n, int *d, int *key, int *info);
 214
 215 void
 216     F77_FUNC(dorgqr, DORGQR) (int *m, int *n, int *k, double *a, int *lda, double *tau,
 217                               double *work, int *lwork, int *info);
 218
 219 void
 220     F77_FUNC(dstebz, DSTEBZ) (const char *range, const char *order, int *n, double *vl, double *vu,
 221                               int *il, int *iu, double *abstol, double *d, double *e,
 222                               int *m, int *nsplit, double *w, int *iblock, int *isplit,
 223                               double *work, int *iwork, int *info);
 224
 225 void
 226     F77_FUNC(dsteqr, DSTEQR) (const char *compz, int *n, double *d__, double *e,
 227                               double *z__,  int *ldz, double *work, int *info);
 228
 229 void
 230     F77_FUNC(dgebrd, DGEBRD) (int *m, int *n, double *a, int *lda, double *d, double *e,
 231                               double *tauq, double *taup, double *work, int *lwork, int *info);
 232
 233 void
 234     F77_FUNC(dlacpy, DLACPY) (const char *uplo, int *m, int *n, double *a, int *lda, double *b, int *ldb);
 235
 236 double
 237     F77_FUNC(dlapy2, DLAPY2) (double * x, double * y);
 238
 239
 240 void
 241     F77_FUNC(dlarrfx, DLARRFX) (int *n, double *d, double *l, double *ld, double *lld, int *ifirst,
 242                                 int *ilast, double *w, double *sigma, double *dplus, double *lplus,
 243                                 double *work, int *info);
 244
 245 void
 246     F77_FUNC(dlasd3, DLASD3) (int *nl, int *nr, int *sqre, int *k, double *d, double *q, int *ldq,
 247                               double *dsigma, double *u, int *ldu, double *u2, int *ldu2,
 248                               double *vt, int *ldvt, double *vt2, int *ldvt2, int *idxc,
 249                               int *ctot, double *z, int *info);
 250
 251 void
 252     F77_FUNC(dlaset, DLASET) (const char *uplo, int *m, int *n, double *alpha,
 253                               double *beta, double *a, int *lda);
 254
 255 void
 256     F77_FUNC(dlassq, DLASSQ) (int *n, double *x, int *incx, double *scale, double *sumsq);
 257
 258 void
 259     F77_FUNC(dorm2l, DORM2L) (const char *side, const char *trans, int *m, int *n, int *k, double *a, int *lda,
 260                               double *tau, double *c, int *ldc, double *work, int *info);
 261
 262 void
 263     F77_FUNC(dstegr, DSTEGR) (const char *jobz, const char *range, int *n, double *d, double *e, double *vl,
 264                               double *vu, int *il, int *iu, double *abstol, int *m, double *w,
 265                               double *z, int *ldz, int *isuppz, double *work,
 266                               int *lwork, int *iwork, int *liwork, int *info);
 267
 268 void
 269     F77_FUNC(ssteqr, SSTEQR) (const char *compz, int *n, float *d__, float *e,
 270                               float *z__,  int *ldz, float *work, int *info);
 271
 272 void
 273     F77_FUNC(dgelq2, DGELQ2) (int *m, int *n, double *a, int *lda, double *tau, double *work, int *info);
 274
 275 void
 276     F77_FUNC(dlae2, DLAE2) (double *a, double *b, double *c, double *rt1, double *rt2);
 277
 278 void
 279     F77_FUNC(dlaev2, DLAEV2) (double *a, double *b, double *c, double *rt1, double *rt2,
 280                               double *cs1, double *cs2);
 281
 282 void
 283     F77_FUNC(dlar1vx, DLAR1VX) (int *n, int *b1, int *bn, double *sigma, double *d, double *l, double *ld,
 284                                 double *lld, double *eval, double *gersch, double *z, double *ztz, double *mingma,
 285                                 int *r, int *isuppz, double *work);
 286
 287 void
 288     F77_FUNC(dlarrvx, DLARRVX) (int *n, double *d, double *l, int *isplit, int *m, double *w,
 289                                 int *iblock, int *indexw, double *gersch, double *tol, double *z, int *ldz,
 290                                 int *isuppz, double *work, int *iwork, int *info);
 291
 292 void
 293     F77_FUNC(dlasd4, DLASD4) (int *n, int *i, double *d, double *z, double *delta,
 294                               double *rho, double *sigma, double *work, int *info);
 295
 296 void
 297     F77_FUNC(dlasq1, DLASQ1) (int *n, double *d, double *e, double *work, int *info);
 298
 299
 300 void
 301     F77_FUNC(dlasv2, DLASV2) (double *f, double *g, double *h, double *ssmin, double *ssmax,
 302                               double *snr, double *csr, double *snl, double *csl);
 303
 304 void
 305     F77_FUNC(dorm2r, DORM2R) (const char *side, const char *trans, int *m, int *n, int *k, double *a,
 306                               int *lda, double *tau, double *c, int *ldc, double *work, int *info);
 307
 308 void
 309     F77_FUNC(dstein, DSTEIN) (int *n, double *d, double *e, int *m, double *w, int *iblock, int *isplit,
 310                               double *z, int *ldz, double *work, int *iwork, int *ifail, int *info);
 311
 312 void
 313     F77_FUNC(dgelqf, DGELQF) (int *m, int *n, double *a, int *lda, double *tau,
 314                               double *work, int *lwork, int *info);
 315
 316 void
 317     F77_FUNC(dlaebz, DLAEBZ) (int *ijob, int *nitmax, int *n, int *mmax, int *minp, int *nbmin,
 318                               double *abstol, double *reltol, double *pivmin, double *d, double *e,
 319                               double *e2, int *nval, double *ab, double *c, int *mout, int *nab,
 320                               double *work, int *iwork, int *info);
 321
 322 void
 323     F77_FUNC(dlarf, DLARF) (const char *side, int *m, int *n, double *v, int *incv, double *tau,
 324                             double *c, int *ldc, double *work);
 325
 326 void
 327     F77_FUNC(dlartg, DLARTG) (double *f, double *g, double *cs, double *sn, double *r);
 328
 329 void
 330     F77_FUNC(dlasd5, DLASD5) (int *i, double *d, double *z, double *delta,
 331                               double *rho, double *dsigma, double *work);
 332
 333 void
 334     F77_FUNC(dlasq2, DLASQ2) (int *n, double *z, int *info);
 335
 336 void
 337     F77_FUNC(dlasq3, DLASQ3) (int *i0, int *n0, double *z, int *pp, double *dmin,
 338                               double *sigma, double *desig, double *qmax, int *nfail,
 339                               int *iter, int *ndiv, int *ieee);
 340
 341 void
 342     F77_FUNC(dlaswp, DLASWP) (int *n, double *a, int *lda, int *k1, int *k2, int *ipiv, int *incx);
 343
 344 void
 345     F77_FUNC(dormbr, DORMBR) (const char *vect, const char *side, const char *trans, int *m, int *n, int *k,
 346                               double *a, int *lda, double *tau, double *c, int *ldc, double *work,
 347                               int *lwork, int *info);
 348
 349 void
 350     F77_FUNC(dsterf, DSTERF) (int *n, double *d, double *e, int *info);
 351
 352 void
 353     F77_FUNC(dgeqr2, DGEQR2) (int *m, int *n, double *a, int *lda, double *tau,
 354                               double *work, int *info);
 355
 356 void
 357     F77_FUNC(dlaed6, DLAED6) (int *kniter, int *orgati, double *rho, double *d,
 358                               double *z, double *finit, double *tau, int *info);
 359
 360 void
 361     F77_FUNC(dlarfb, DLARFB) (const char *side, const char *trans, const char *direct, const char *storev, int *m, int *n,
 362                               int *k, double *v, int *ldv, double *t, int *ldt, double *c,
 363                               int *ldc, double *work, int *ldwork);
 364
 365 void
 366     F77_FUNC(dlaruv, DLARUV) (int *iseed, int *n, double *x);
 367
 368 void
 369     F77_FUNC(dlasd6, DLASD6) (int *icompq, int *nl, int *nr, int *sqre, double *d, double *vf,
 370                               double *vl, double *alpha, double *beta, int *idxq, int *perm,
 371                               int *givptr, int *givcol, int *ldgcol, double *givnum, int *ldgnum,
 372                               double *poles, double *difl, double *difr, double *z, int *k,
 373                               double *c, double *s, double *work, int *iwork, int *info);
 374
 375 void
 376     F77_FUNC(dlatrd, DLATRD) (const char *uplo, int *n, int *nb, double *a, int *lda, double *e,
 377                               double * tau, double *w, int *ldw);
 378
 379 void
 380     F77_FUNC(dorml2, DORML2) (const char *side, const char *trans, int *m, int *n, int *k, double *a,
 381                               int *lda, double *tau, double *c, int *ldc, double *work, int *info);
 382
 383 void
 384     F77_FUNC(dstevr, DSTEVR) (const char *jobz, const char *range, int *n, double *d, double *e, double *vl,
 385                               double *vu, int *il, int *iu, double *abstol, int *m, double *w,
 386                               double *z, int *ldz, int *isuppz, double *work,
 387                               int *lwork, int *iwork, int *liwork, int *info);
 388
 389 void
 390     F77_FUNC(dsytrd, DSYTRD) (const char *uplo, int *n, double *  a, int *lda, double *d,
 391                               double *e, double *tau, double *work, int *lwork, int *info);
 392
 393 GMX_LIBGMX_EXPORT
 394 void
 395     F77_FUNC(dsyevr, DSYEVR) (const char *jobz, const char *range, const char *uplo, int *n,
 396                               double *a, int *lda, double *vl, double *vu, int *
 397                               il, int *iu, double *abstol, int *m, double *w,
 398                               double *z__, int *ldz, int *isuppz, double *work,
 399                               int *lwork, int *iwork, int *liwork, int *info);
 400
 401 void
 402     F77_FUNC(dormql, DORMQL) (const char *side, const char *trans, int *m, int *n,
 403                               int *k, double *a, int *lda, double *tau, double *
 404                               c, int *ldc, double *work, int *lwork, int *info);
 405
 406 void
 407     F77_FUNC(dormqr, DORMQR) (const char *side, const char *trans, int *m, int *n, int *k, double *a,
 408                               int *lda, double *tau, double *c, int *ldc,
 409                               double *work, int *lwork, int *info);
 410
 411 void
 412     F77_FUNC(dorgbr, DORGBR) (const char *vect, int *m, int *n, int *k, double *a, int *lda,
 413                               double *tau, double *work, int *lwork, int *info);
 414
 415 void
 416     F77_FUNC(dlasq5, DLASQ5) (int *i0, int *n0, double *z, int *pp, double *tau, double *dmin,
 417                               double *dmin1, double *dmin2, double *dn, double *dnm1,
 418                               double *dnm2, int *ieee);
 419
 420 void
 421     F77_FUNC(dlasd8, DLASD8) (int *icompq, int *k, double *d, double *z, double *vf, double *vl,
 422                               double *difl, double *difr, int *lddifr, double *dsigma,
 423                               double *work, int *info);
 424
 425 void
 426     F77_FUNC(dlascl, DLASCL) (const char *type, int *kl, int *ku, double *cfrom, double *cto, int *m,
 427                               int *n, double *a, int *lda, int *info);
 428
 429 void
 430     F77_FUNC(dlarft, DLARFT) (const char *direct, const char *storev, int *n, int *k, double *v,
 431                               int *ldv, double *tau, double *t, int *ldt);
 432
 433 void
 434     F77_FUNC(dlagts, DLAGTS) (int *job, int *n, double *a, double *b, double *c, double *d,
 435                               int *in, double *y, double *tol, int *info);
 436
 437 void
 438     F77_FUNC(dgesdd, DGESDD) (const char *jobz, int *m, int *n, double *a, int *lda, double *s, double *u,
 439                               int *ldu, double *vt, int *ldvt, double *work, int *lwork,
 440                               int *iwork, int *info);
 441
 442 void
 443     F77_FUNC(dsytd2, DSYTD2) (const char *uplo, int *n, double *a, int *lda, double *d,
 444                               double *e, double *tau, int *info);
 445
 446 void
 447     F77_FUNC(dormlq, DORMLQ) (const char *side, const char *trans, int *m, int *n, int *k, double *a, int *lda,
 448                               double *tau, double *c, int *ldc, double *work, int *lwork, int *info);
 449
 450 void
 451     F77_FUNC(dorg2r, DORG2R) (int *m, int *n, int *k, double *a, int *lda, double *tau,
 452                               double *work, int *info);
 453
 454 void
 455     F77_FUNC(dlasq4, DLASQ4) (int *i0, int *n0, double *z, int *pp, int *n0in, double *dmin,
 456                               double *dmin1, double *dmin2, double *dn, double *dn1,
 457                               double *dn2, double *tau, int *ttype);
 458
 459 void
 460     F77_FUNC(dlasd7, DLASD7) (int *icompq, int *nl, int *nr, int *sqre, int *k, double *d, double *z,
 461                               double *zw, double *vf, double *vfw, double *vl, double *vlw,
 462                               double *alpha, double *beta, double *dsigma, int *idx, int *idxp,
 463                               int *idxq, int *perm, int *givptr, int *givcol, int *ldgcol,
 464                               double *givnum, int *ldgnum, double *c, double *s, int *info);
 465
 466 void
 467     F77_FUNC(dlas2, DLAS2) (double *f, double *g, double *h, double *ssmin, double *ssmax);
 468
 469 void
 470     F77_FUNC(dlarfg, DLARFG) (int *n, double *alpha, double *x, int *incx, double *tau);
 471
 472 void
 473     F77_FUNC(dlagtf, DLAGTF) (int *n, double *a, double *lambda, double *b, double *c,
 474                               double *tol, double *d, int *in, int *info);
 475
 476 void
 477     F77_FUNC(dgeqrf, DGEQRF) (int *m, int *n, double *a, int *lda, double *tau,
 478                               double *work, int *lwork, int *info);
 479
 480
 481
 482 /* Single precision */
 483
 484 void
 485     F77_FUNC(sbdsdc, SBDSDC) (const char *uplo, const char *compq, int *n, float *d, float *e, float *u,
 486                               int *ldu, float *vt, int *ldvt, float *q, int *iq, float *work,
 487                               int *iwork, int *info);
 488
 489 void
 490     F77_FUNC(sgetf2, SGETF2) (int *m, int *n, float *a, int *lda, int *ipiv, int *info);
 491
 492 void
 493     F77_FUNC(slamrg, SLAMRG) (int *n1, int *n2, float *a, int *dtrd1, int *dtrd2, int *index);
 494
 495 void
 496     F77_FUNC(slarnv, SLARNV) (int *idist, int *iseed, int *n, float *x);
 497
 498 void
 499     F77_FUNC(slasd0, SLASD0) (int *n, int *sqre, float *d, float *e, float *u,
 500                               int *ldu, float *vt, int *ldvt, int *smlsiz, int *iwork,
 501                               float *work, int *info);
 502
 503 void
 504     F77_FUNC(slasda, SLASDA) (int *icompq, int *smlsiz, int *n, int *sqre, float *d, float *e,
 505                               float *u, int *ldu, float *vt, int *k, float *difl, float *difr,
 506                               float *z, float *poles, int *givptr, int *givcol, int *ldgcol,
 507                               int *perm, float *givnum, float *c, float *s,
 508                               float *work, int *iwork, int *info);
 509
 510 void
 511     F77_FUNC(slasq6, SLASQ6) (int *i0, int *n0, float *z, int *pp, float *dmin, float *dmin1,
 512                               float *dmin2, float *dn, float *dnm1, float *dnm2);
 513
 514 void
 515     F77_FUNC(sorgl2, SORGL2) (int *m, int *n, int *k, float *a, int *lda,
 516                               float *tau, float *work, int *info);
 517
 518 void
 519     F77_FUNC(sbdsqr, SBDSQR) (const char *uplo, int *n, int *ncvt, int *nru, int *ncc, float *d,
 520                               float *e, float *vt, int *ldvt, float *u, int *ldu,
 521                               float *c, int *ldc, float *work, int *info);
 522
 523 void
 524     F77_FUNC(sgetrf, SGETRF) (int *m, int *n, float *a, int *lda, int *ipiv, int *info);
 525
 526 void
 527     F77_FUNC(sgetri, SGETRI) (int *n, float *a, int *lda, int *ipiv, float *work,
 528                               int *lwork, int *info);
 529
 530 void
 531     F77_FUNC(sgetrs, SGETRS) (const char *trans, int *n, int *nrhs,   float *a, int *lda, int *ipiv,
 532                               float *b, int *ldb, int *info);
 533
 534 void
 535     F77_FUNC(strtri, STRTRI) (const char *uplo, const char *diag, int *n, float *a, int *lda, int *info);
 536
 537 void
 538     F77_FUNC(strti2, STRTI2) (const char *uplo, const char *diag, int *n, float *a, int *lda, int *info);
 539
 540 float
 541     F77_FUNC(slange, SLANGE) (const char *norm, int *m, int *n, float *a, int *lda, float *work);
 542
 543 void
 544     F77_FUNC(slarrbx, SLARRBX) (int *n, float *d, float *l, float *ld, float *lld, int *ifirst,
 545                                 int *ilast, float *rtol1, float *rtol2, int *offset, float *w,
 546                                 float *wgap, float *werr, float *work, int *iwork, int *info);
 547
 548 void
 549     F77_FUNC(slasd1, SLASD1) (int *nl, int *nr, int *sqre, float *d, float *alpha, float *beta,
 550                               float *u, int *ldu, float *vt, int *ldvt, int *idxq, int *iwork,
 551                               float *work, int *info);
 552
 553 void
 554     F77_FUNC(slasdq, SLASDQ) (const char *uplo, int *sqre, int *n, int *ncvt, int *nru, int *ncc,
 555                               float *d, float *e, float *vt, int *ldvt, float *u, int *ldu,
 556                               float *c, int *ldc, float *work, int *info);
 557
 558 void
 559     F77_FUNC(slasr, SLASR) (const char *side, const char *pivot, const char *direct, int *m, int *n, float *c,
 560                             float *s, float *a, int *lda);
 561
 562 void
 563     F77_FUNC(sorglq, SORGLQ) (int *m, int *n, int *k, float *a, int *lda,
 564                               float *tau, float *work, int *lwork, int *info);
 565
 566 void
 567     F77_FUNC(sormtr, SORMTR) (const char *side, const char *uplo, const char *trans, int *m, int *n, float *a,
 568                               int *lda, float *tau, float *c, int *ldc,
 569                               float *work, int *lwork, int *info);
 570
 571 void
 572     F77_FUNC(sgebd2, SGEBD2) (int *m, int *n, float *a, int *lda, float *d, float *e,
 573                               float *tauq, float *taup, float *work, int *info);
 574
 575 void
 576     F77_FUNC(slabrd, SLABRD) (int *m, int *n, int *nb, float *a, int *lda, float *d,
 577                               float *e, float *tauq, float *taup, float *x,
 578                               int *ldx, float *y, int *ldy);
 579
 580 float
 581     F77_FUNC(slanst, SLANST) (const char *norm, int *n, float *d, float *e);
 582
 583 float
 584     F77_FUNC(slansy, SLANSY) (const char *norm, const char *uplo, int *n, float *a, int *lda, float *work);
 585
 586 void
 587     F77_FUNC(slarrex, SLARREX) (const char *range, int *n, float *vl, float *vu, int *il, int *iu,
 588                                 float *d, float *e, float *tol, int *nsplit,
 589                                 int *isplit, int *m, float *w, int *iblock, int *indexw,
 590                                 float *gersch, float *work, int *iwork, int *info);
 591
 592 void
 593     F77_FUNC(slasd2, SLASD2) (int *nl, int *nr, int *sqre, int *k, float *d, float *z,
 594                               float *alpha, float *beta, float *u, int *ldu, float *vt,
 595                               int *ldvt, float *dsigma, float *u2, int *ldu2, float *vt2,
 596                               int *ldvt2, int *idxp, int *idx, int *idxc,
 597                               int *idxq, int *coltyp, int *info);
 598
 599 void
 600     F77_FUNC(slasdt, SLASDT) (int *n, int *lvl, int *nd, int *inode, int *ndiml,
 601                               int *ndimr, int *msub);
 602
 603 void
 604     F77_FUNC(slasrt, SLASRT) (const char *id, int *n, float *d, int *info);
 605
 606 void
 607     F77_FUNC(slasrt2, SLASRT2) (const char *id, int *n, float *d, int *key, int *info);
 608
 609 void
 610     F77_FUNC(sorgqr, SORGQR) (int *m, int *n, int *k, float *a, int *lda, float *tau,
 611                               float *work, int *lwork, int *info);
 612
 613 void
 614     F77_FUNC(sstebz, SSTEBZ) (const char *range, const char *order, int *n, float *vl, float *vu,
 615                               int *il, int *iu, float *abstol, float *d, float *e,
 616                               int *m, int *nsplit, float *w, int *iblock, int *isplit,
 617                               float *work, int *iwork, int *info);
 618
 619 void
 620     F77_FUNC(sgebrd, SGEBRD) (int *m, int *n, float *a, int *lda, float *d, float *e,
 621                               float *tauq, float *taup, float *work, int *lwork, int *info);
 622
 623 void
 624     F77_FUNC(slacpy, SLACPY) (const char *uplo, int *m, int *n, float *a, int *lda, float *b, int *ldb);
 625
 626 float
 627     F77_FUNC(slapy2, SLAPY2) (float * x, float * y);
 628
 629 void
 630     F77_FUNC(slarrfx, SLARRFX) (int *n, float *d, float *l, float *ld, float *lld, int *ifirst,
 631                                 int *ilast, float *w, float *sigma, float *dplus, float *lplus,
 632                                 float *work, int *info);
 633
 634 void
 635     F77_FUNC(slasd3, SLASD3) (int *nl, int *nr, int *sqre, int *k, float *d, float *q, int *ldq,
 636                               float *dsigma, float *u, int *ldu, float *u2, int *ldu2,
 637                               float *vt, int *ldvt, float *vt2, int *ldvt2, int *idxc,
 638                               int *ctot, float *z, int *info);
 639
 640 void
 641     F77_FUNC(slaset, SLASET) (const char *uplo, int *m, int *n, float *alpha,
 642                               float *beta, float *a, int *lda);
 643
 644 void
 645     F77_FUNC(slassq, SLASSQ) (int *n, float *x, int *incx, float *scale, float *sumsq);
 646
 647 void
 648     F77_FUNC(sorm2l, SORM2L) (const char *side, const char *trans, int *m, int *n, int *k, float *a, int *lda,
 649                               float *tau, float *c, int *ldc, float *work, int *info);
 650
 651 void
 652     F77_FUNC(sstegr, SSTEGR) (const char *jobz, const char *range, int *n, float *d, float *e, float *vl,
 653                               float *vu, int *il, int *iu, float *abstol, int *m, float *w,
 654                               float *z, int *ldz, int *isuppz, float *work,
 655                               int *lwork, int *iwork, int *liwork, int *info);
 656
 657 void
 658     F77_FUNC(sgelq2, SGELQ2) (int *m, int *n, float *a, int *lda, float *tau, float *work, int *info);
 659
 660 void
 661     F77_FUNC(slae2, SLAE2) (float *a, float *b, float *c, float *rt1, float *rt2);
 662
 663 void
 664     F77_FUNC(slaev2, SLAEV2) (float *a, float *b, float *c, float *rt1, float *rt2,
 665                               float *cs1, float *cs2);
 666
 667 void
 668     F77_FUNC(slar1vx, SLAR1VX) (int *n, int *b1, int *bn, float *sigma, float *d, float *l, float *ld,
 669                                 float *lld, float *eval, float *gersch, float *z, float *ztz, float *mingma,
 670                                 int *r, int *isuppz, float *work);
 671
 672 void
 673     F77_FUNC(slarrvx, SLARRVX) (int *n, float *d, float *l, int *isplit, int *m, float *w,
 674                                 int *iblock, int *indexw, float *gersch, float *tol, float *z, int *ldz,
 675                                 int *isuppz, float *work, int *iwork, int *info);
 676
 677 void
 678     F77_FUNC(slasd4, SLASD4) (int *n, int *i, float *d, float *z, float *delta,
 679                               float *rho, float *sigma, float *work, int *info);
 680
 681 void
 682     F77_FUNC(slasq1, SLASQ1) (int *n, float *d, float *e, float *work, int *info);
 683
 684
 685 void
 686     F77_FUNC(slasv2, SLASV2) (float *f, float *g, float *h, float *ssmin, float *ssmax,
 687                               float *snr, float *csr, float *snl, float *csl);
 688
 689 void
 690     F77_FUNC(sorm2r, SORM2R) (const char *side, const char *trans, int *m, int *n, int *k, float *a,
 691                               int *lda, float *tau, float *c, int *ldc, float *work, int *info);
 692
 693 void
 694     F77_FUNC(sstein, SSTEIN) (int *n, float *d, float *e, int *m, float *w, int *iblock, int *isplit,
 695                               float *z, int *ldz, float *work, int *iwork, int *ifail, int *info);
 696
 697 void
 698     F77_FUNC(sgelqf, SGELQF) (int *m, int *n, float *a, int *lda, float *tau,
 699                               float *work, int *lwork, int *info);
 700
 701 void
 702     F77_FUNC(slaebz, SLAEBZ) (int *ijob, int *nitmax, int *n, int *mmax, int *minp, int *nbmin,
 703                               float *abstol, float *reltol, float *pivmin, float *d, float *e,
 704                               float *e2, int *nval, float *ab, float *c, int *mout, int *nab,
 705                               float *work, int *iwork, int *info);
 706
 707 void
 708     F77_FUNC(slarf, SLARF) (const char *side, int *m, int *n, float *v, int *incv, float *tau,
 709                             float *c, int *ldc, float *work);
 710
 711 void
 712     F77_FUNC(slartg, SLARTG) (float *f, float *g, float *cs, float *sn, float *r);
 713
 714 void
 715     F77_FUNC(slasd5, SLASD5) (int *i, float *d, float *z, float *delta,
 716                               float *rho, float *dsigma, float *work);
 717
 718 void
 719     F77_FUNC(slasq2, SLASQ2) (int *n, float *z, int *info);
 720
 721 void
 722     F77_FUNC(slasq3, SLASQ3) (int *i0, int *n0, float *z, int *pp, float *dmin,
 723                               float *sigma, float *desig, float *qmax, int *nfail,
 724                               int *iter, int *ndiv, int *ieee);
 725
 726 void
 727     F77_FUNC(slaswp, SLASWP) (int *n, float *a, int *lda, int *k1, int *k2, int *ipiv, int *incx);
 728
 729 void
 730     F77_FUNC(sormbr, SORMBR) (const char *vect, const char *side, const char *trans, int *m, int *n, int *k,
 731                               float *a, int *lda, float *tau, float *c, int *ldc, float *work,
 732                               int *lwork, int *info);
 733
 734 void
 735     F77_FUNC(ssterf, SSTERF) (int *n, float *d, float *e, int *info);
 736
 737 void
 738     F77_FUNC(sgeqr2, SGEQR2) (int *m, int *n, float *a, int *lda, float *tau,
 739                               float *work, int *info);
 740
 741 void
 742     F77_FUNC(slaed6, SLAED6) (int *kniter, int *orgati, float *rho, float *d,
 743                               float *z, float *finit, float *tau, int *info);
 744
 745 void
 746     F77_FUNC(slarfb, SLARFB) (const char *side, const char *trans, const char *direct, const char *storev, int *m, int *n,
 747                               int *k, float *v, int *ldv, float *t, int *ldt, float *c,
 748                               int *ldc, float *work, int *ldwork);
 749
 750 void
 751     F77_FUNC(slaruv, SLARUV) (int *iseed, int *n, float *x);
 752
 753 void
 754     F77_FUNC(slasd6, SLASD6) (int *icompq, int *nl, int *nr, int *sqre, float *d, float *vf,
 755                               float *vl, float *alpha, float *beta, int *idxq, int *perm,
 756                               int *givptr, int *givcol, int *ldgcol, float *givnum, int *ldgnum,
 757                               float *poles, float *difl, float *difr, float *z, int *k,
 758                               float *c, float *s, float *work, int *iwork, int *info);
 759
 760 void
 761     F77_FUNC(slatrd, SLATRD) (const char *uplo, int *n, int *nb, float *a, int *lda, float *e,
 762                               float * tau, float *w, int *ldw);
 763
 764 void
 765     F77_FUNC(sorml2, SORML2) (const char *side, const char *trans, int *m, int *n, int *k, float *a,
 766                               int *lda, float *tau, float *c, int *ldc, float *work, int *info);
 767
 768 void
 769     F77_FUNC(sstevr, SSTEVR) (const char *jobz, const char *range, int *n, float *d, float *e, float *vl,
 770                               float *vu, int *il, int *iu, float *abstol, int *m, float *w,
 771                               float *z, int *ldz, int *isuppz, float *work,
 772                               int *lwork, int *iwork, int *liwork, int *info);
 773
 774 void
 775     F77_FUNC(ssytrd, SSYTRD) (const char *uplo, int *n, float *  a, int *lda, float *d,
 776                               float *e, float *tau, float *work, int *lwork, int *info);
 777
 778 GMX_LIBGMX_EXPORT
 779 void
 780     F77_FUNC(ssyevr, SSYEVR) (const char *jobz, const char *range, const char *uplo, int *n,
 781                               float *a, int *lda, float *vl, float *vu, int *
 782                               il, int *iu, float *abstol, int *m, float *w,
 783                               float *z__, int *ldz, int *isuppz, float *work,
 784                               int *lwork, int *iwork, int *liwork, int *info);
 785
 786 void
 787     F77_FUNC(sormql, SORMQL) (const char *side, const char *trans, int *m, int *n,
 788                               int *k, float *a, int *lda, float *tau, float *
 789                               c, int *ldc, float *work, int *lwork, int *info);
 790
 791 void
 792     F77_FUNC(sormqr, SORMQR) (const char *side, const char *trans, int *m, int *n, int *k, float *a,
 793                               int *lda, float *tau, float *c, int *ldc,
 794                               float *work, int *lwork, int *info);
 795
 796 void
 797     F77_FUNC(sorgbr, SORGBR) (const char *vect, int *m, int *n, int *k, float *a, int *lda,
 798                               float *tau, float *work, int *lwork, int *info);
 799
 800 void
 801     F77_FUNC(slasq5, SLASQ5) (int *i0, int *n0, float *z, int *pp, float *tau, float *dmin,
 802                               float *dmin1, float *dmin2, float *dn, float *dnm1,
 803                               float *dnm2, int *ieee);
 804
 805 void
 806     F77_FUNC(slasd8, SLASD8) (int *icompq, int *k, float *d, float *z, float *vf, float *vl,
 807                               float *difl, float *difr, int *lddifr, float *dsigma,
 808                               float *work, int *info);
 809
 810 void
 811     F77_FUNC(slascl, SLASCL) (const char *type, int *kl, int *ku, float *cfrom, float *cto, int *m,
 812                               int *n, float *a, int *lda, int *info);
 813
 814 void
 815     F77_FUNC(slarft, SLARFT) (const char *direct, const char *storev, int *n, int *k, float *v,
 816                               int *ldv, float *tau, float *t, int *ldt);
 817
 818 void
 819     F77_FUNC(slagts, SLAGTS) (int *job, int *n, float *a, float *b, float *c, float *d,
 820                               int *in, float *y, float *tol, int *info);
 821
 822 void
 823     F77_FUNC(sgesdd, SGESDD) (const char *jobz, int *m, int *n, float *a, int *lda, float *s, float *u,
 824                               int *ldu, float *vt, int *ldvt, float *work, int *lwork,
 825                               int *iwork, int *info);
 826
 827 void
 828     F77_FUNC(ssytd2, SSYTD2) (const char *uplo, int *n, float *a, int *lda, float *d,
 829                               float *e, float *tau, int *info);
 830
 831 void
 832     F77_FUNC(sormlq, SORMLQ) (const char *side, const char *trans, int *m, int *n, int *k, float *a, int *lda,
 833                               float *tau, float *c, int *ldc, float *work, int *lwork, int *info);
 834
 835 void
 836     F77_FUNC(sorg2r, SORG2R) (int *m, int *n, int *k, float *a, int *lda, float *tau,
 837                               float *work, int *info);
 838
 839 void
 840     F77_FUNC(slasq4, SLASQ4) (int *i0, int *n0, float *z, int *pp, int *n0in, float *dmin,
 841                               float *dmin1, float *dmin2, float *dn, float *dn1,
 842                               float *dn2, float *tau, int *ttype);
 843
 844 void
 845     F77_FUNC(slasd7, SLASD7) (int *icompq, int *nl, int *nr, int *sqre, int *k, float *d, float *z,
 846                               float *zw, float *vf, float *vfw, float *vl, float *vlw,
 847                               float *alpha, float *beta, float *dsigma, int *idx, int *idxp,
 848                               int *idxq, int *perm, int *givptr, int *givcol, int *ldgcol,
 849                               float *givnum, int *ldgnum, float *c, float *s, int *info);
 850
 851 void
 852     F77_FUNC(slas2, SLAS2) (float *f, float *g, float *h, float *ssmin, float *ssmax);
 853
 854 void
 855     F77_FUNC(slarfg, SLARFG) (int *n, float *alpha, float *x, int *incx, float *tau);
 856
 857 void
 858     F77_FUNC(slagtf, SLAGTF) (int *n, float *a, float *lambda, float *b, float *c,
 859                               float *tol, float *d, int *in, int *info);
 860
 861 void
 862     F77_FUNC(sgeqrf, SGEQRF) (int *m, int *n, float *a, int *lda, float *tau,
 863                               float *work, int *lwork, int *info);
 864
 865
 866 #ifdef __cplusplus
 867 }
 868 #endif
 869
 870
 871
 872 #endif /* _LAPACK_H_ */