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lammps/lib/linalg/zheevd.cpp

186 lines
6.4 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static integer c__1 = 1;
static integer c_n1 = -1;
static integer c__0 = 0;
static doublereal c_b18 = 1.;
int zheevd_(char *jobz, char *uplo, integer *n, doublecomplex *a, integer *lda, doublereal *w,
doublecomplex *work, integer *lwork, doublereal *rwork, integer *lrwork, integer *iwork,
integer *liwork, integer *info, ftnlen jobz_len, ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2;
doublereal d__1;
double sqrt(doublereal);
doublereal eps;
integer inde;
doublereal anrm;
integer imax;
doublereal rmin, rmax;
integer lopt;
extern int dscal_(integer *, doublereal *, doublereal *, integer *);
doublereal sigma;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
integer iinfo, lwmin, liopt;
logical lower;
integer llrwk, lropt;
logical wantz;
integer indwk2, llwrk2;
extern doublereal dlamch_(char *, ftnlen);
integer iscale;
doublereal safmin;
extern integer ilaenv_(integer *, char *, char *, integer *, integer *, integer *, integer *,
ftnlen, ftnlen);
extern int xerbla_(char *, integer *, ftnlen);
doublereal bignum;
extern doublereal zlanhe_(char *, char *, integer *, doublecomplex *, integer *, doublereal *,
ftnlen, ftnlen);
integer indtau;
extern int dsterf_(integer *, doublereal *, doublereal *, integer *),
zlascl_(char *, integer *, integer *, doublereal *, doublereal *, integer *, integer *,
doublecomplex *, integer *, integer *, ftnlen),
zstedc_(char *, integer *, doublereal *, doublereal *, doublecomplex *, integer *,
doublecomplex *, integer *, doublereal *, integer *, integer *, integer *,
integer *, ftnlen);
integer indrwk, indwrk, liwmin;
extern int zhetrd_(char *, integer *, doublecomplex *, integer *, doublereal *, doublereal *,
doublecomplex *, doublecomplex *, integer *, integer *, ftnlen),
zlacpy_(char *, integer *, integer *, doublecomplex *, integer *, doublecomplex *,
integer *, ftnlen);
integer lrwmin, llwork;
doublereal smlnum;
logical lquery;
extern int zunmtr_(char *, char *, char *, integer *, integer *, doublecomplex *, integer *,
doublecomplex *, doublecomplex *, integer *, doublecomplex *, integer *,
integer *, ftnlen, ftnlen, ftnlen);
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
--w;
--work;
--rwork;
--iwork;
wantz = lsame_(jobz, (char *)"V", (ftnlen)1, (ftnlen)1);
lower = lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1);
lquery = *lwork == -1 || *lrwork == -1 || *liwork == -1;
*info = 0;
if (!(wantz || lsame_(jobz, (char *)"N", (ftnlen)1, (ftnlen)1))) {
*info = -1;
} else if (!(lower || lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1))) {
*info = -2;
} else if (*n < 0) {
*info = -3;
} else if (*lda < max(1, *n)) {
*info = -5;
}
if (*info == 0) {
if (*n <= 1) {
lwmin = 1;
lrwmin = 1;
liwmin = 1;
lopt = lwmin;
lropt = lrwmin;
liopt = liwmin;
} else {
if (wantz) {
lwmin = (*n << 1) + *n * *n;
i__1 = *n;
lrwmin = *n * 5 + 1 + (i__1 * i__1 << 1);
liwmin = *n * 5 + 3;
} else {
lwmin = *n + 1;
lrwmin = *n;
liwmin = 1;
}
i__1 = lwmin, i__2 = *n + *n * ilaenv_(&c__1, (char *)"ZHETRD", uplo, n, &c_n1, &c_n1, &c_n1,
(ftnlen)6, (ftnlen)1);
lopt = max(i__1, i__2);
lropt = lrwmin;
liopt = liwmin;
}
work[1].r = (doublereal)lopt, work[1].i = 0.;
rwork[1] = (doublereal)lropt;
iwork[1] = liopt;
if (*lwork < lwmin && !lquery) {
*info = -8;
} else if (*lrwork < lrwmin && !lquery) {
*info = -10;
} else if (*liwork < liwmin && !lquery) {
*info = -12;
}
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"ZHEEVD", &i__1, (ftnlen)6);
return 0;
} else if (lquery) {
return 0;
}
if (*n == 0) {
return 0;
}
if (*n == 1) {
i__1 = a_dim1 + 1;
w[1] = a[i__1].r;
if (wantz) {
i__1 = a_dim1 + 1;
a[i__1].r = 1., a[i__1].i = 0.;
}
return 0;
}
safmin = dlamch_((char *)"Safe minimum", (ftnlen)12);
eps = dlamch_((char *)"Precision", (ftnlen)9);
smlnum = safmin / eps;
bignum = 1. / smlnum;
rmin = sqrt(smlnum);
rmax = sqrt(bignum);
anrm = zlanhe_((char *)"M", uplo, n, &a[a_offset], lda, &rwork[1], (ftnlen)1, (ftnlen)1);
iscale = 0;
if (anrm > 0. && anrm < rmin) {
iscale = 1;
sigma = rmin / anrm;
} else if (anrm > rmax) {
iscale = 1;
sigma = rmax / anrm;
}
if (iscale == 1) {
zlascl_(uplo, &c__0, &c__0, &c_b18, &sigma, n, n, &a[a_offset], lda, info, (ftnlen)1);
}
inde = 1;
indtau = 1;
indwrk = indtau + *n;
indrwk = inde + *n;
indwk2 = indwrk + *n * *n;
llwork = *lwork - indwrk + 1;
llwrk2 = *lwork - indwk2 + 1;
llrwk = *lrwork - indrwk + 1;
zhetrd_(uplo, n, &a[a_offset], lda, &w[1], &rwork[inde], &work[indtau], &work[indwrk], &llwork,
&iinfo, (ftnlen)1);
if (!wantz) {
dsterf_(n, &w[1], &rwork[inde], info);
} else {
zstedc_((char *)"I", n, &w[1], &rwork[inde], &work[indwrk], n, &work[indwk2], &llwrk2,
&rwork[indrwk], &llrwk, &iwork[1], liwork, info, (ftnlen)1);
zunmtr_((char *)"L", uplo, (char *)"N", n, n, &a[a_offset], lda, &work[indtau], &work[indwrk], n,
&work[indwk2], &llwrk2, &iinfo, (ftnlen)1, (ftnlen)1, (ftnlen)1);
zlacpy_((char *)"A", n, n, &work[indwrk], n, &a[a_offset], lda, (ftnlen)1);
}
if (iscale == 1) {
if (*info == 0) {
imax = *n;
} else {
imax = *info - 1;
}
d__1 = 1. / sigma;
dscal_(&imax, &d__1, &w[1], &c__1);
}
work[1].r = (doublereal)lopt, work[1].i = 0.;
rwork[1] = (doublereal)lropt;
iwork[1] = liopt;
return 0;
}
#ifdef __cplusplus
}
#endif