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lammps/lib/linalg/dsyev.cpp

142 lines
4.6 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_b17 = 1.;
int dsyev_(char *jobz, char *uplo, integer *n, doublereal *a, integer *lda, doublereal *w,
doublereal *work, integer *lwork, integer *info, ftnlen jobz_len, ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2;
doublereal d__1;
double sqrt(doublereal);
integer nb;
doublereal eps;
integer inde;
doublereal anrm;
integer imax;
doublereal rmin, rmax;
extern int dscal_(integer *, doublereal *, doublereal *, integer *);
doublereal sigma;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
integer iinfo;
logical lower, wantz;
extern doublereal dlamch_(char *, ftnlen);
integer iscale;
extern int dlascl_(char *, integer *, integer *, doublereal *, doublereal *, integer *,
integer *, doublereal *, integer *, integer *, ftnlen);
doublereal safmin;
extern integer ilaenv_(integer *, char *, char *, integer *, integer *, integer *, integer *,
ftnlen, ftnlen);
extern int xerbla_(char *, integer *, ftnlen);
doublereal bignum;
integer indtau;
extern int dsterf_(integer *, doublereal *, doublereal *, integer *);
extern doublereal dlansy_(char *, char *, integer *, doublereal *, integer *, doublereal *,
ftnlen, ftnlen);
integer indwrk;
extern int dorgtr_(char *, integer *, doublereal *, integer *, doublereal *, doublereal *,
integer *, integer *, ftnlen),
dsteqr_(char *, integer *, doublereal *, doublereal *, doublereal *, integer *,
doublereal *, integer *, ftnlen),
dsytrd_(char *, integer *, doublereal *, integer *, doublereal *, doublereal *,
doublereal *, doublereal *, integer *, integer *, ftnlen);
integer llwork;
doublereal smlnum;
integer lwkopt;
logical lquery;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
--w;
--work;
wantz = lsame_(jobz, (char *)"V", (ftnlen)1, (ftnlen)1);
lower = lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1);
lquery = *lwork == -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) {
nb = ilaenv_(&c__1, (char *)"DSYTRD", uplo, n, &c_n1, &c_n1, &c_n1, (ftnlen)6, (ftnlen)1);
i__1 = 1, i__2 = (nb + 2) * *n;
lwkopt = max(i__1, i__2);
work[1] = (doublereal)lwkopt;
i__1 = 1, i__2 = *n * 3 - 1;
if (*lwork < max(i__1, i__2) && !lquery) {
*info = -8;
}
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"DSYEV ", &i__1, (ftnlen)6);
return 0;
} else if (lquery) {
return 0;
}
if (*n == 0) {
return 0;
}
if (*n == 1) {
w[1] = a[a_dim1 + 1];
work[1] = 2.;
if (wantz) {
a[a_dim1 + 1] = 1.;
}
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 = dlansy_((char *)"M", uplo, n, &a[a_offset], lda, &work[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) {
dlascl_(uplo, &c__0, &c__0, &c_b17, &sigma, n, n, &a[a_offset], lda, info, (ftnlen)1);
}
inde = 1;
indtau = inde + *n;
indwrk = indtau + *n;
llwork = *lwork - indwrk + 1;
dsytrd_(uplo, n, &a[a_offset], lda, &w[1], &work[inde], &work[indtau], &work[indwrk], &llwork,
&iinfo, (ftnlen)1);
if (!wantz) {
dsterf_(n, &w[1], &work[inde], info);
} else {
dorgtr_(uplo, n, &a[a_offset], lda, &work[indtau], &work[indwrk], &llwork, &iinfo,
(ftnlen)1);
dsteqr_(jobz, n, &w[1], &work[inde], &a[a_offset], lda, &work[indtau], info, (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] = (doublereal)lwkopt;
return 0;
}
#ifdef __cplusplus
}
#endif