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lammps/lib/linalg/dlasq2.cpp

396 lines
13 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static integer c__1 = 1;
static integer c__2 = 2;
static integer c__10 = 10;
static integer c__3 = 3;
static integer c__4 = 4;
int dlasq2_(integer *n, doublereal *z__, integer *info)
{
integer i__1, i__2, i__3;
doublereal d__1, d__2;
double sqrt(doublereal);
doublereal d__, e, g;
integer k;
doublereal s, t;
integer i0, i1, i4, n0, n1;
doublereal dn;
integer pp;
doublereal dn1, dn2, dee, eps, tau, tol;
integer ipn4;
doublereal tol2;
logical ieee;
integer nbig;
doublereal dmin__, emin, emax;
integer kmin, ndiv, iter;
doublereal qmin, temp, qmax, zmax;
integer splt;
doublereal dmin1, dmin2;
integer nfail;
doublereal desig, trace, sigma;
integer iinfo;
doublereal tempe, tempq;
integer ttype;
extern int dlasq3_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
doublereal *, doublereal *, integer *, integer *, integer *, logical *,
integer *, doublereal *, doublereal *, doublereal *, doublereal *,
doublereal *, doublereal *, doublereal *);
extern doublereal dlamch_(char *, ftnlen);
doublereal deemin;
integer iwhila, iwhilb;
doublereal oldemn, safmin;
extern int xerbla_(char *, integer *, ftnlen);
extern integer ilaenv_(integer *, char *, char *, integer *, integer *, integer *, integer *,
ftnlen, ftnlen);
extern int dlasrt_(char *, integer *, doublereal *, integer *, ftnlen);
--z__;
*info = 0;
eps = dlamch_((char *)"Precision", (ftnlen)9);
safmin = dlamch_((char *)"Safe minimum", (ftnlen)12);
tol = eps * 100.;
d__1 = tol;
tol2 = d__1 * d__1;
if (*n < 0) {
*info = -1;
xerbla_((char *)"DLASQ2", &c__1, (ftnlen)6);
return 0;
} else if (*n == 0) {
return 0;
} else if (*n == 1) {
if (z__[1] < 0.) {
*info = -201;
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
}
return 0;
} else if (*n == 2) {
if (z__[1] < 0.) {
*info = -201;
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
} else if (z__[2] < 0.) {
*info = -202;
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
} else if (z__[3] < 0.) {
*info = -203;
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
} else if (z__[3] > z__[1]) {
d__ = z__[3];
z__[3] = z__[1];
z__[1] = d__;
}
z__[5] = z__[1] + z__[2] + z__[3];
if (z__[2] > z__[3] * tol2) {
t = (z__[1] - z__[3] + z__[2]) * .5;
s = z__[3] * (z__[2] / t);
if (s <= t) {
s = z__[3] * (z__[2] / (t * (sqrt(s / t + 1.) + 1.)));
} else {
s = z__[3] * (z__[2] / (t + sqrt(t) * sqrt(t + s)));
}
t = z__[1] + (s + z__[2]);
z__[3] *= z__[1] / t;
z__[1] = t;
}
z__[2] = z__[3];
z__[6] = z__[2] + z__[1];
return 0;
}
z__[*n * 2] = 0.;
emin = z__[2];
qmax = 0.;
zmax = 0.;
d__ = 0.;
e = 0.;
i__1 = *n - 1 << 1;
for (k = 1; k <= i__1; k += 2) {
if (z__[k] < 0.) {
*info = -(k + 200);
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
} else if (z__[k + 1] < 0.) {
*info = -(k + 201);
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
}
d__ += z__[k];
e += z__[k + 1];
d__1 = qmax, d__2 = z__[k];
qmax = max(d__1, d__2);
d__1 = emin, d__2 = z__[k + 1];
emin = min(d__1, d__2);
d__1 = max(qmax, zmax), d__2 = z__[k + 1];
zmax = max(d__1, d__2);
}
if (z__[(*n << 1) - 1] < 0.) {
*info = -((*n << 1) + 199);
xerbla_((char *)"DLASQ2", &c__2, (ftnlen)6);
return 0;
}
d__ += z__[(*n << 1) - 1];
d__1 = qmax, d__2 = z__[(*n << 1) - 1];
qmax = max(d__1, d__2);
zmax = max(qmax, zmax);
if (e == 0.) {
i__1 = *n;
for (k = 2; k <= i__1; ++k) {
z__[k] = z__[(k << 1) - 1];
}
dlasrt_((char *)"D", n, &z__[1], &iinfo, (ftnlen)1);
z__[(*n << 1) - 1] = d__;
return 0;
}
trace = d__ + e;
if (trace == 0.) {
z__[(*n << 1) - 1] = 0.;
return 0;
}
ieee = ilaenv_(&c__10, (char *)"DLASQ2", (char *)"N", &c__1, &c__2, &c__3, &c__4, (ftnlen)6, (ftnlen)1) == 1;
for (k = *n << 1; k >= 2; k += -2) {
z__[k * 2] = 0.;
z__[(k << 1) - 1] = z__[k];
z__[(k << 1) - 2] = 0.;
z__[(k << 1) - 3] = z__[k - 1];
}
i0 = 1;
n0 = *n;
if (z__[(i0 << 2) - 3] * 1.5 < z__[(n0 << 2) - 3]) {
ipn4 = i0 + n0 << 2;
i__1 = i0 + n0 - 1 << 1;
for (i4 = i0 << 2; i4 <= i__1; i4 += 4) {
temp = z__[i4 - 3];
z__[i4 - 3] = z__[ipn4 - i4 - 3];
z__[ipn4 - i4 - 3] = temp;
temp = z__[i4 - 1];
z__[i4 - 1] = z__[ipn4 - i4 - 5];
z__[ipn4 - i4 - 5] = temp;
}
}
pp = 0;
for (k = 1; k <= 2; ++k) {
d__ = z__[(n0 << 2) + pp - 3];
i__1 = (i0 << 2) + pp;
for (i4 = (n0 - 1 << 2) + pp; i4 >= i__1; i4 += -4) {
if (z__[i4 - 1] <= tol2 * d__) {
z__[i4 - 1] = -0.;
d__ = z__[i4 - 3];
} else {
d__ = z__[i4 - 3] * (d__ / (d__ + z__[i4 - 1]));
}
}
emin = z__[(i0 << 2) + pp + 1];
d__ = z__[(i0 << 2) + pp - 3];
i__1 = (n0 - 1 << 2) + pp;
for (i4 = (i0 << 2) + pp; i4 <= i__1; i4 += 4) {
z__[i4 - (pp << 1) - 2] = d__ + z__[i4 - 1];
if (z__[i4 - 1] <= tol2 * d__) {
z__[i4 - 1] = -0.;
z__[i4 - (pp << 1) - 2] = d__;
z__[i4 - (pp << 1)] = 0.;
d__ = z__[i4 + 1];
} else if (safmin * z__[i4 + 1] < z__[i4 - (pp << 1) - 2] &&
safmin * z__[i4 - (pp << 1) - 2] < z__[i4 + 1]) {
temp = z__[i4 + 1] / z__[i4 - (pp << 1) - 2];
z__[i4 - (pp << 1)] = z__[i4 - 1] * temp;
d__ *= temp;
} else {
z__[i4 - (pp << 1)] = z__[i4 + 1] * (z__[i4 - 1] / z__[i4 - (pp << 1) - 2]);
d__ = z__[i4 + 1] * (d__ / z__[i4 - (pp << 1) - 2]);
}
d__1 = emin, d__2 = z__[i4 - (pp << 1)];
emin = min(d__1, d__2);
}
z__[(n0 << 2) - pp - 2] = d__;
qmax = z__[(i0 << 2) - pp - 2];
i__1 = (n0 << 2) - pp - 2;
for (i4 = (i0 << 2) - pp + 2; i4 <= i__1; i4 += 4) {
d__1 = qmax, d__2 = z__[i4];
qmax = max(d__1, d__2);
}
pp = 1 - pp;
}
ttype = 0;
dmin1 = 0.;
dmin2 = 0.;
dn = 0.;
dn1 = 0.;
dn2 = 0.;
g = 0.;
tau = 0.;
iter = 2;
nfail = 0;
ndiv = n0 - i0 << 1;
i__1 = *n + 1;
for (iwhila = 1; iwhila <= i__1; ++iwhila) {
if (n0 < 1) {
goto L170;
}
desig = 0.;
if (n0 == *n) {
sigma = 0.;
} else {
sigma = -z__[(n0 << 2) - 1];
}
if (sigma < 0.) {
*info = 1;
return 0;
}
emax = 0.;
if (n0 > i0) {
emin = (d__1 = z__[(n0 << 2) - 5], abs(d__1));
} else {
emin = 0.;
}
qmin = z__[(n0 << 2) - 3];
qmax = qmin;
for (i4 = n0 << 2; i4 >= 8; i4 += -4) {
if (z__[i4 - 5] <= 0.) {
goto L100;
}
if (qmin >= emax * 4.) {
d__1 = qmin, d__2 = z__[i4 - 3];
qmin = min(d__1, d__2);
d__1 = emax, d__2 = z__[i4 - 5];
emax = max(d__1, d__2);
}
d__1 = qmax, d__2 = z__[i4 - 7] + z__[i4 - 5];
qmax = max(d__1, d__2);
d__1 = emin, d__2 = z__[i4 - 5];
emin = min(d__1, d__2);
}
i4 = 4;
L100:
i0 = i4 / 4;
pp = 0;
if (n0 - i0 > 1) {
dee = z__[(i0 << 2) - 3];
deemin = dee;
kmin = i0;
i__2 = (n0 << 2) - 3;
for (i4 = (i0 << 2) + 1; i4 <= i__2; i4 += 4) {
dee = z__[i4] * (dee / (dee + z__[i4 - 2]));
if (dee <= deemin) {
deemin = dee;
kmin = (i4 + 3) / 4;
}
}
if (kmin - i0 << 1 < n0 - kmin && deemin <= z__[(n0 << 2) - 3] * .5) {
ipn4 = i0 + n0 << 2;
pp = 2;
i__2 = i0 + n0 - 1 << 1;
for (i4 = i0 << 2; i4 <= i__2; i4 += 4) {
temp = z__[i4 - 3];
z__[i4 - 3] = z__[ipn4 - i4 - 3];
z__[ipn4 - i4 - 3] = temp;
temp = z__[i4 - 2];
z__[i4 - 2] = z__[ipn4 - i4 - 2];
z__[ipn4 - i4 - 2] = temp;
temp = z__[i4 - 1];
z__[i4 - 1] = z__[ipn4 - i4 - 5];
z__[ipn4 - i4 - 5] = temp;
temp = z__[i4];
z__[i4] = z__[ipn4 - i4 - 4];
z__[ipn4 - i4 - 4] = temp;
}
}
}
d__1 = 0., d__2 = qmin - sqrt(qmin) * 2. * sqrt(emax);
dmin__ = -max(d__1, d__2);
nbig = (n0 - i0 + 1) * 100;
i__2 = nbig;
for (iwhilb = 1; iwhilb <= i__2; ++iwhilb) {
if (i0 > n0) {
goto L150;
}
dlasq3_(&i0, &n0, &z__[1], &pp, &dmin__, &sigma, &desig, &qmax, &nfail, &iter, &ndiv,
&ieee, &ttype, &dmin1, &dmin2, &dn, &dn1, &dn2, &g, &tau);
pp = 1 - pp;
if (pp == 0 && n0 - i0 >= 3) {
if (z__[n0 * 4] <= tol2 * qmax || z__[(n0 << 2) - 1] <= tol2 * sigma) {
splt = i0 - 1;
qmax = z__[(i0 << 2) - 3];
emin = z__[(i0 << 2) - 1];
oldemn = z__[i0 * 4];
i__3 = n0 - 3 << 2;
for (i4 = i0 << 2; i4 <= i__3; i4 += 4) {
if (z__[i4] <= tol2 * z__[i4 - 3] || z__[i4 - 1] <= tol2 * sigma) {
z__[i4 - 1] = -sigma;
splt = i4 / 4;
qmax = 0.;
emin = z__[i4 + 3];
oldemn = z__[i4 + 4];
} else {
d__1 = qmax, d__2 = z__[i4 + 1];
qmax = max(d__1, d__2);
d__1 = emin, d__2 = z__[i4 - 1];
emin = min(d__1, d__2);
d__1 = oldemn, d__2 = z__[i4];
oldemn = min(d__1, d__2);
}
}
z__[(n0 << 2) - 1] = emin;
z__[n0 * 4] = oldemn;
i0 = splt + 1;
}
}
}
*info = 2;
i1 = i0;
n1 = n0;
L145:
tempq = z__[(i0 << 2) - 3];
z__[(i0 << 2) - 3] += sigma;
i__2 = n0;
for (k = i0 + 1; k <= i__2; ++k) {
tempe = z__[(k << 2) - 5];
z__[(k << 2) - 5] *= tempq / z__[(k << 2) - 7];
tempq = z__[(k << 2) - 3];
z__[(k << 2) - 3] = z__[(k << 2) - 3] + sigma + tempe - z__[(k << 2) - 5];
}
if (i1 > 1) {
n1 = i1 - 1;
while (i1 >= 2 && z__[(i1 << 2) - 5] >= 0.) {
--i1;
}
sigma = -z__[(n1 << 2) - 1];
goto L145;
}
i__2 = *n;
for (k = 1; k <= i__2; ++k) {
z__[(k << 1) - 1] = z__[(k << 2) - 3];
if (k < n0) {
z__[k * 2] = z__[(k << 2) - 1];
} else {
z__[k * 2] = 0.;
}
}
return 0;
L150:;
}
*info = 3;
return 0;
L170:
i__1 = *n;
for (k = 2; k <= i__1; ++k) {
z__[k] = z__[(k << 2) - 3];
}
dlasrt_((char *)"D", n, &z__[1], &iinfo, (ftnlen)1);
e = 0.;
for (k = *n; k >= 1; --k) {
e += z__[k];
}
z__[(*n << 1) + 1] = trace;
z__[(*n << 1) + 2] = e;
z__[(*n << 1) + 3] = (doublereal)iter;
i__1 = *n;
z__[(*n << 1) + 4] = (doublereal)ndiv / (doublereal)(i__1 * i__1);
z__[(*n << 1) + 5] = nfail * 100. / (doublereal)iter;
return 0;
}
#ifdef __cplusplus
}
#endif