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lammps/lib/linalg/dlasq3.cpp

173 lines
5.8 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
int dlasq3_(integer *i0, integer *n0, doublereal *z__, integer *pp, doublereal *dmin__,
doublereal *sigma, doublereal *desig, doublereal *qmax, integer *nfail, integer *iter,
integer *ndiv, logical *ieee, integer *ttype, doublereal *dmin1, doublereal *dmin2,
doublereal *dn, doublereal *dn1, doublereal *dn2, doublereal *g, doublereal *tau)
{
integer i__1;
doublereal d__1, d__2;
double sqrt(doublereal);
doublereal s, t;
integer j4, nn;
doublereal eps, tol;
integer n0in, ipn4;
doublereal tol2, temp;
extern int dlasq4_(integer *, integer *, doublereal *, integer *, integer *, doublereal *,
doublereal *, doublereal *, doublereal *, doublereal *, doublereal *,
doublereal *, integer *, doublereal *),
dlasq5_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
doublereal *, doublereal *, doublereal *, doublereal *, doublereal *, doublereal *,
logical *, doublereal *),
dlasq6_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
doublereal *, doublereal *, doublereal *, doublereal *);
extern doublereal dlamch_(char *, ftnlen);
extern logical disnan_(doublereal *);
--z__;
n0in = *n0;
eps = dlamch_((char *)"Precision", (ftnlen)9);
tol = eps * 100.;
d__1 = tol;
tol2 = d__1 * d__1;
L10:
if (*n0 < *i0) {
return 0;
}
if (*n0 == *i0) {
goto L20;
}
nn = (*n0 << 2) + *pp;
if (*n0 == *i0 + 1) {
goto L40;
}
if (z__[nn - 5] > tol2 * (*sigma + z__[nn - 3]) &&
z__[nn - (*pp << 1) - 4] > tol2 * z__[nn - 7]) {
goto L30;
}
L20:
z__[(*n0 << 2) - 3] = z__[(*n0 << 2) + *pp - 3] + *sigma;
--(*n0);
goto L10;
L30:
if (z__[nn - 9] > tol2 * *sigma && z__[nn - (*pp << 1) - 8] > tol2 * z__[nn - 11]) {
goto L50;
}
L40:
if (z__[nn - 3] > z__[nn - 7]) {
s = z__[nn - 3];
z__[nn - 3] = z__[nn - 7];
z__[nn - 7] = s;
}
t = (z__[nn - 7] - z__[nn - 3] + z__[nn - 5]) * .5;
if (z__[nn - 5] > z__[nn - 3] * tol2 && t != 0.) {
s = z__[nn - 3] * (z__[nn - 5] / t);
if (s <= t) {
s = z__[nn - 3] * (z__[nn - 5] / (t * (sqrt(s / t + 1.) + 1.)));
} else {
s = z__[nn - 3] * (z__[nn - 5] / (t + sqrt(t) * sqrt(t + s)));
}
t = z__[nn - 7] + (s + z__[nn - 5]);
z__[nn - 3] *= z__[nn - 7] / t;
z__[nn - 7] = t;
}
z__[(*n0 << 2) - 7] = z__[nn - 7] + *sigma;
z__[(*n0 << 2) - 3] = z__[nn - 3] + *sigma;
*n0 += -2;
goto L10;
L50:
if (*pp == 2) {
*pp = 0;
}
if (*dmin__ <= 0. || *n0 < n0in) {
if (z__[(*i0 << 2) + *pp - 3] * 1.5 < z__[(*n0 << 2) + *pp - 3]) {
ipn4 = *i0 + *n0 << 2;
i__1 = *i0 + *n0 - 1 << 1;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
temp = z__[j4 - 3];
z__[j4 - 3] = z__[ipn4 - j4 - 3];
z__[ipn4 - j4 - 3] = temp;
temp = z__[j4 - 2];
z__[j4 - 2] = z__[ipn4 - j4 - 2];
z__[ipn4 - j4 - 2] = temp;
temp = z__[j4 - 1];
z__[j4 - 1] = z__[ipn4 - j4 - 5];
z__[ipn4 - j4 - 5] = temp;
temp = z__[j4];
z__[j4] = z__[ipn4 - j4 - 4];
z__[ipn4 - j4 - 4] = temp;
}
if (*n0 - *i0 <= 4) {
z__[(*n0 << 2) + *pp - 1] = z__[(*i0 << 2) + *pp - 1];
z__[(*n0 << 2) - *pp] = z__[(*i0 << 2) - *pp];
}
d__1 = *dmin2, d__2 = z__[(*n0 << 2) + *pp - 1];
*dmin2 = min(d__1, d__2);
d__1 = z__[(*n0 << 2) + *pp - 1], d__2 = z__[(*i0 << 2) + *pp - 1],
d__1 = min(d__1, d__2), d__2 = z__[(*i0 << 2) + *pp + 3];
z__[(*n0 << 2) + *pp - 1] = min(d__1, d__2);
d__1 = z__[(*n0 << 2) - *pp], d__2 = z__[(*i0 << 2) - *pp], d__1 = min(d__1, d__2),
d__2 = z__[(*i0 << 2) - *pp + 4];
z__[(*n0 << 2) - *pp] = min(d__1, d__2);
d__1 = *qmax, d__2 = z__[(*i0 << 2) + *pp - 3], d__1 = max(d__1, d__2),
d__2 = z__[(*i0 << 2) + *pp + 1];
*qmax = max(d__1, d__2);
*dmin__ = -0.;
}
}
dlasq4_(i0, n0, &z__[1], pp, &n0in, dmin__, dmin1, dmin2, dn, dn1, dn2, tau, ttype, g);
L70:
dlasq5_(i0, n0, &z__[1], pp, tau, sigma, dmin__, dmin1, dmin2, dn, dn1, dn2, ieee, &eps);
*ndiv += *n0 - *i0 + 2;
++(*iter);
if (*dmin__ >= 0. && *dmin1 >= 0.) {
goto L90;
} else if (*dmin__ < 0. && *dmin1 > 0. && z__[(*n0 - 1 << 2) - *pp] < tol * (*sigma + *dn1) &&
abs(*dn) < tol * *sigma) {
z__[(*n0 - 1 << 2) - *pp + 2] = 0.;
*dmin__ = 0.;
goto L90;
} else if (*dmin__ < 0.) {
++(*nfail);
if (*ttype < -22) {
*tau = 0.;
} else if (*dmin1 > 0.) {
*tau = (*tau + *dmin__) * (1. - eps * 2.);
*ttype += -11;
} else {
*tau *= .25;
*ttype += -12;
}
goto L70;
} else if (disnan_(dmin__)) {
if (*tau == 0.) {
goto L80;
} else {
*tau = 0.;
goto L70;
}
} else {
goto L80;
}
L80:
dlasq6_(i0, n0, &z__[1], pp, dmin__, dmin1, dmin2, dn, dn1, dn2);
*ndiv += *n0 - *i0 + 2;
++(*iter);
*tau = 0.;
L90:
if (*tau < *sigma) {
*desig += *tau;
t = *sigma + *desig;
*desig -= t - *sigma;
} else {
t = *sigma + *tau;
*desig = *sigma - (t - *tau) + *desig;
}
*sigma = t;
return 0;
}
#ifdef __cplusplus
}
#endif