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lammps/lib/linalg/zsteqr.cpp

379 lines
11 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static doublecomplex c_b1 = {0., 0.};
static doublecomplex c_b2 = {1., 0.};
static integer c__0 = 0;
static integer c__1 = 1;
static integer c__2 = 2;
static doublereal c_b41 = 1.;
int zsteqr_(char *compz, integer *n, doublereal *d__, doublereal *e, doublecomplex *z__,
integer *ldz, doublereal *work, integer *info, ftnlen compz_len)
{
integer z_dim1, z_offset, i__1, i__2;
doublereal d__1, d__2;
double sqrt(doublereal), d_lmp_sign(doublereal *, doublereal *);
doublereal b, c__, f, g;
integer i__, j, k, l, m;
doublereal p, r__, s;
integer l1, ii, mm, lm1, mm1, nm1;
doublereal rt1, rt2, eps;
integer lsv;
doublereal tst, eps2;
integer lend, jtot;
extern int dlae2_(doublereal *, doublereal *, doublereal *, doublereal *, doublereal *);
extern logical lsame_(char *, char *, ftnlen, ftnlen);
doublereal anorm;
extern int zlasr_(char *, char *, char *, integer *, integer *, doublereal *, doublereal *,
doublecomplex *, integer *, ftnlen, ftnlen, ftnlen),
zswap_(integer *, doublecomplex *, integer *, doublecomplex *, integer *),
dlaev2_(doublereal *, doublereal *, doublereal *, doublereal *, doublereal *, doublereal *,
doublereal *);
integer lendm1, lendp1;
extern doublereal dlapy2_(doublereal *, doublereal *), dlamch_(char *, ftnlen);
integer iscale;
extern int dlascl_(char *, integer *, integer *, doublereal *, doublereal *, integer *,
integer *, doublereal *, integer *, integer *, ftnlen);
doublereal safmin;
extern int dlartg_(doublereal *, doublereal *, doublereal *, doublereal *, doublereal *);
doublereal safmax;
extern int xerbla_(char *, integer *, ftnlen);
extern doublereal dlanst_(char *, integer *, doublereal *, doublereal *, ftnlen);
extern int dlasrt_(char *, integer *, doublereal *, integer *, ftnlen);
integer lendsv;
doublereal ssfmin;
integer nmaxit, icompz;
doublereal ssfmax;
extern int zlaset_(char *, integer *, integer *, doublecomplex *, doublecomplex *,
doublecomplex *, integer *, ftnlen);
--d__;
--e;
z_dim1 = *ldz;
z_offset = 1 + z_dim1;
z__ -= z_offset;
--work;
*info = 0;
if (lsame_(compz, (char *)"N", (ftnlen)1, (ftnlen)1)) {
icompz = 0;
} else if (lsame_(compz, (char *)"V", (ftnlen)1, (ftnlen)1)) {
icompz = 1;
} else if (lsame_(compz, (char *)"I", (ftnlen)1, (ftnlen)1)) {
icompz = 2;
} else {
icompz = -1;
}
if (icompz < 0) {
*info = -1;
} else if (*n < 0) {
*info = -2;
} else if (*ldz < 1 || icompz > 0 && *ldz < max(1, *n)) {
*info = -6;
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"ZSTEQR", &i__1, (ftnlen)6);
return 0;
}
if (*n == 0) {
return 0;
}
if (*n == 1) {
if (icompz == 2) {
i__1 = z_dim1 + 1;
z__[i__1].r = 1., z__[i__1].i = 0.;
}
return 0;
}
eps = dlamch_((char *)"E", (ftnlen)1);
d__1 = eps;
eps2 = d__1 * d__1;
safmin = dlamch_((char *)"S", (ftnlen)1);
safmax = 1. / safmin;
ssfmax = sqrt(safmax) / 3.;
ssfmin = sqrt(safmin) / eps2;
if (icompz == 2) {
zlaset_((char *)"Full", n, n, &c_b1, &c_b2, &z__[z_offset], ldz, (ftnlen)4);
}
nmaxit = *n * 30;
jtot = 0;
l1 = 1;
nm1 = *n - 1;
L10:
if (l1 > *n) {
goto L160;
}
if (l1 > 1) {
e[l1 - 1] = 0.;
}
if (l1 <= nm1) {
i__1 = nm1;
for (m = l1; m <= i__1; ++m) {
tst = (d__1 = e[m], abs(d__1));
if (tst == 0.) {
goto L30;
}
if (tst <=
sqrt((d__1 = d__[m], abs(d__1))) * sqrt((d__2 = d__[m + 1], abs(d__2))) * eps) {
e[m] = 0.;
goto L30;
}
}
}
m = *n;
L30:
l = l1;
lsv = l;
lend = m;
lendsv = lend;
l1 = m + 1;
if (lend == l) {
goto L10;
}
i__1 = lend - l + 1;
anorm = dlanst_((char *)"I", &i__1, &d__[l], &e[l], (ftnlen)1);
iscale = 0;
if (anorm == 0.) {
goto L10;
}
if (anorm > ssfmax) {
iscale = 1;
i__1 = lend - l + 1;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmax, &i__1, &c__1, &d__[l], n, info, (ftnlen)1);
i__1 = lend - l;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmax, &i__1, &c__1, &e[l], n, info, (ftnlen)1);
} else if (anorm < ssfmin) {
iscale = 2;
i__1 = lend - l + 1;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmin, &i__1, &c__1, &d__[l], n, info, (ftnlen)1);
i__1 = lend - l;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmin, &i__1, &c__1, &e[l], n, info, (ftnlen)1);
}
if ((d__1 = d__[lend], abs(d__1)) < (d__2 = d__[l], abs(d__2))) {
lend = lsv;
l = lendsv;
}
if (lend > l) {
L40:
if (l != lend) {
lendm1 = lend - 1;
i__1 = lendm1;
for (m = l; m <= i__1; ++m) {
d__2 = (d__1 = e[m], abs(d__1));
tst = d__2 * d__2;
if (tst <=
eps2 * (d__1 = d__[m], abs(d__1)) * (d__2 = d__[m + 1], abs(d__2)) + safmin) {
goto L60;
}
}
}
m = lend;
L60:
if (m < lend) {
e[m] = 0.;
}
p = d__[l];
if (m == l) {
goto L80;
}
if (m == l + 1) {
if (icompz > 0) {
dlaev2_(&d__[l], &e[l], &d__[l + 1], &rt1, &rt2, &c__, &s);
work[l] = c__;
work[*n - 1 + l] = s;
zlasr_((char *)"R", (char *)"V", (char *)"B", n, &c__2, &work[l], &work[*n - 1 + l], &z__[l * z_dim1 + 1],
ldz, (ftnlen)1, (ftnlen)1, (ftnlen)1);
} else {
dlae2_(&d__[l], &e[l], &d__[l + 1], &rt1, &rt2);
}
d__[l] = rt1;
d__[l + 1] = rt2;
e[l] = 0.;
l += 2;
if (l <= lend) {
goto L40;
}
goto L140;
}
if (jtot == nmaxit) {
goto L140;
}
++jtot;
g = (d__[l + 1] - p) / (e[l] * 2.);
r__ = dlapy2_(&g, &c_b41);
g = d__[m] - p + e[l] / (g + d_lmp_sign(&r__, &g));
s = 1.;
c__ = 1.;
p = 0.;
mm1 = m - 1;
i__1 = l;
for (i__ = mm1; i__ >= i__1; --i__) {
f = s * e[i__];
b = c__ * e[i__];
dlartg_(&g, &f, &c__, &s, &r__);
if (i__ != m - 1) {
e[i__ + 1] = r__;
}
g = d__[i__ + 1] - p;
r__ = (d__[i__] - g) * s + c__ * 2. * b;
p = s * r__;
d__[i__ + 1] = g + p;
g = c__ * r__ - b;
if (icompz > 0) {
work[i__] = c__;
work[*n - 1 + i__] = -s;
}
}
if (icompz > 0) {
mm = m - l + 1;
zlasr_((char *)"R", (char *)"V", (char *)"B", n, &mm, &work[l], &work[*n - 1 + l], &z__[l * z_dim1 + 1], ldz,
(ftnlen)1, (ftnlen)1, (ftnlen)1);
}
d__[l] -= p;
e[l] = g;
goto L40;
L80:
d__[l] = p;
++l;
if (l <= lend) {
goto L40;
}
goto L140;
} else {
L90:
if (l != lend) {
lendp1 = lend + 1;
i__1 = lendp1;
for (m = l; m >= i__1; --m) {
d__2 = (d__1 = e[m - 1], abs(d__1));
tst = d__2 * d__2;
if (tst <=
eps2 * (d__1 = d__[m], abs(d__1)) * (d__2 = d__[m - 1], abs(d__2)) + safmin) {
goto L110;
}
}
}
m = lend;
L110:
if (m > lend) {
e[m - 1] = 0.;
}
p = d__[l];
if (m == l) {
goto L130;
}
if (m == l - 1) {
if (icompz > 0) {
dlaev2_(&d__[l - 1], &e[l - 1], &d__[l], &rt1, &rt2, &c__, &s);
work[m] = c__;
work[*n - 1 + m] = s;
zlasr_((char *)"R", (char *)"V", (char *)"F", n, &c__2, &work[m], &work[*n - 1 + m],
&z__[(l - 1) * z_dim1 + 1], ldz, (ftnlen)1, (ftnlen)1, (ftnlen)1);
} else {
dlae2_(&d__[l - 1], &e[l - 1], &d__[l], &rt1, &rt2);
}
d__[l - 1] = rt1;
d__[l] = rt2;
e[l - 1] = 0.;
l += -2;
if (l >= lend) {
goto L90;
}
goto L140;
}
if (jtot == nmaxit) {
goto L140;
}
++jtot;
g = (d__[l - 1] - p) / (e[l - 1] * 2.);
r__ = dlapy2_(&g, &c_b41);
g = d__[m] - p + e[l - 1] / (g + d_lmp_sign(&r__, &g));
s = 1.;
c__ = 1.;
p = 0.;
lm1 = l - 1;
i__1 = lm1;
for (i__ = m; i__ <= i__1; ++i__) {
f = s * e[i__];
b = c__ * e[i__];
dlartg_(&g, &f, &c__, &s, &r__);
if (i__ != m) {
e[i__ - 1] = r__;
}
g = d__[i__] - p;
r__ = (d__[i__ + 1] - g) * s + c__ * 2. * b;
p = s * r__;
d__[i__] = g + p;
g = c__ * r__ - b;
if (icompz > 0) {
work[i__] = c__;
work[*n - 1 + i__] = s;
}
}
if (icompz > 0) {
mm = l - m + 1;
zlasr_((char *)"R", (char *)"V", (char *)"F", n, &mm, &work[m], &work[*n - 1 + m], &z__[m * z_dim1 + 1], ldz,
(ftnlen)1, (ftnlen)1, (ftnlen)1);
}
d__[l] -= p;
e[lm1] = g;
goto L90;
L130:
d__[l] = p;
--l;
if (l >= lend) {
goto L90;
}
goto L140;
}
L140:
if (iscale == 1) {
i__1 = lendsv - lsv + 1;
dlascl_((char *)"G", &c__0, &c__0, &ssfmax, &anorm, &i__1, &c__1, &d__[lsv], n, info, (ftnlen)1);
i__1 = lendsv - lsv;
dlascl_((char *)"G", &c__0, &c__0, &ssfmax, &anorm, &i__1, &c__1, &e[lsv], n, info, (ftnlen)1);
} else if (iscale == 2) {
i__1 = lendsv - lsv + 1;
dlascl_((char *)"G", &c__0, &c__0, &ssfmin, &anorm, &i__1, &c__1, &d__[lsv], n, info, (ftnlen)1);
i__1 = lendsv - lsv;
dlascl_((char *)"G", &c__0, &c__0, &ssfmin, &anorm, &i__1, &c__1, &e[lsv], n, info, (ftnlen)1);
}
if (jtot == nmaxit) {
i__1 = *n - 1;
for (i__ = 1; i__ <= i__1; ++i__) {
if (e[i__] != 0.) {
++(*info);
}
}
return 0;
}
goto L10;
L160:
if (icompz == 0) {
dlasrt_((char *)"I", n, &d__[1], info, (ftnlen)1);
} else {
i__1 = *n;
for (ii = 2; ii <= i__1; ++ii) {
i__ = ii - 1;
k = i__;
p = d__[i__];
i__2 = *n;
for (j = ii; j <= i__2; ++j) {
if (d__[j] < p) {
k = j;
p = d__[j];
}
}
if (k != i__) {
d__[k] = d__[i__];
d__[i__] = p;
zswap_(n, &z__[i__ * z_dim1 + 1], &c__1, &z__[k * z_dim1 + 1], &c__1);
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif