Files
lammps/lib/linalg/dlasq5.cpp

240 lines
8.7 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
int dlasq5_(integer *i0, integer *n0, doublereal *z__, integer *pp, doublereal *tau,
doublereal *sigma, doublereal *dmin__, doublereal *dmin1, doublereal *dmin2,
doublereal *dn, doublereal *dnm1, doublereal *dnm2, logical *ieee, doublereal *eps)
{
integer i__1;
doublereal d__1, d__2;
doublereal d__;
integer j4, j4p2;
doublereal emin, temp, dthresh;
--z__;
if (*n0 - *i0 - 1 <= 0) {
return 0;
}
dthresh = *eps * (*sigma + *tau);
if (*tau < dthresh * .5) {
*tau = 0.;
}
if (*tau != 0.) {
j4 = (*i0 << 2) + *pp - 3;
emin = z__[j4 + 4];
d__ = z__[j4] - *tau;
*dmin__ = d__;
*dmin1 = -z__[j4];
if (*ieee) {
if (*pp == 0) {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 2] = d__ + z__[j4 - 1];
temp = z__[j4 + 1] / z__[j4 - 2];
d__ = d__ * temp - *tau;
*dmin__ = min(*dmin__, d__);
z__[j4] = z__[j4 - 1] * temp;
d__1 = z__[j4];
emin = min(d__1, emin);
}
} else {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 3] = d__ + z__[j4];
temp = z__[j4 + 2] / z__[j4 - 3];
d__ = d__ * temp - *tau;
*dmin__ = min(*dmin__, d__);
z__[j4 - 1] = z__[j4] * temp;
d__1 = z__[j4 - 1];
emin = min(d__1, emin);
}
}
*dnm2 = d__;
*dmin2 = *dmin__;
j4 = (*n0 - 2 << 2) - *pp;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm2 + z__[j4p2];
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dnm1 = z__[j4p2 + 2] * (*dnm2 / z__[j4 - 2]) - *tau;
*dmin__ = min(*dmin__, *dnm1);
*dmin1 = *dmin__;
j4 += 4;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm1 + z__[j4p2];
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dn = z__[j4p2 + 2] * (*dnm1 / z__[j4 - 2]) - *tau;
*dmin__ = min(*dmin__, *dn);
} else {
if (*pp == 0) {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 2] = d__ + z__[j4 - 1];
if (d__ < 0.) {
return 0;
} else {
z__[j4] = z__[j4 + 1] * (z__[j4 - 1] / z__[j4 - 2]);
d__ = z__[j4 + 1] * (d__ / z__[j4 - 2]) - *tau;
}
*dmin__ = min(*dmin__, d__);
d__1 = emin, d__2 = z__[j4];
emin = min(d__1, d__2);
}
} else {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 3] = d__ + z__[j4];
if (d__ < 0.) {
return 0;
} else {
z__[j4 - 1] = z__[j4 + 2] * (z__[j4] / z__[j4 - 3]);
d__ = z__[j4 + 2] * (d__ / z__[j4 - 3]) - *tau;
}
*dmin__ = min(*dmin__, d__);
d__1 = emin, d__2 = z__[j4 - 1];
emin = min(d__1, d__2);
}
}
*dnm2 = d__;
*dmin2 = *dmin__;
j4 = (*n0 - 2 << 2) - *pp;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm2 + z__[j4p2];
if (*dnm2 < 0.) {
return 0;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dnm1 = z__[j4p2 + 2] * (*dnm2 / z__[j4 - 2]) - *tau;
}
*dmin__ = min(*dmin__, *dnm1);
*dmin1 = *dmin__;
j4 += 4;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm1 + z__[j4p2];
if (*dnm1 < 0.) {
return 0;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dn = z__[j4p2 + 2] * (*dnm1 / z__[j4 - 2]) - *tau;
}
*dmin__ = min(*dmin__, *dn);
}
} else {
j4 = (*i0 << 2) + *pp - 3;
emin = z__[j4 + 4];
d__ = z__[j4] - *tau;
*dmin__ = d__;
*dmin1 = -z__[j4];
if (*ieee) {
if (*pp == 0) {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 2] = d__ + z__[j4 - 1];
temp = z__[j4 + 1] / z__[j4 - 2];
d__ = d__ * temp - *tau;
if (d__ < dthresh) {
d__ = 0.;
}
*dmin__ = min(*dmin__, d__);
z__[j4] = z__[j4 - 1] * temp;
d__1 = z__[j4];
emin = min(d__1, emin);
}
} else {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 3] = d__ + z__[j4];
temp = z__[j4 + 2] / z__[j4 - 3];
d__ = d__ * temp - *tau;
if (d__ < dthresh) {
d__ = 0.;
}
*dmin__ = min(*dmin__, d__);
z__[j4 - 1] = z__[j4] * temp;
d__1 = z__[j4 - 1];
emin = min(d__1, emin);
}
}
*dnm2 = d__;
*dmin2 = *dmin__;
j4 = (*n0 - 2 << 2) - *pp;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm2 + z__[j4p2];
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dnm1 = z__[j4p2 + 2] * (*dnm2 / z__[j4 - 2]) - *tau;
*dmin__ = min(*dmin__, *dnm1);
*dmin1 = *dmin__;
j4 += 4;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm1 + z__[j4p2];
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dn = z__[j4p2 + 2] * (*dnm1 / z__[j4 - 2]) - *tau;
*dmin__ = min(*dmin__, *dn);
} else {
if (*pp == 0) {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 2] = d__ + z__[j4 - 1];
if (d__ < 0.) {
return 0;
} else {
z__[j4] = z__[j4 + 1] * (z__[j4 - 1] / z__[j4 - 2]);
d__ = z__[j4 + 1] * (d__ / z__[j4 - 2]) - *tau;
}
if (d__ < dthresh) {
d__ = 0.;
}
*dmin__ = min(*dmin__, d__);
d__1 = emin, d__2 = z__[j4];
emin = min(d__1, d__2);
}
} else {
i__1 = *n0 - 3 << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 3] = d__ + z__[j4];
if (d__ < 0.) {
return 0;
} else {
z__[j4 - 1] = z__[j4 + 2] * (z__[j4] / z__[j4 - 3]);
d__ = z__[j4 + 2] * (d__ / z__[j4 - 3]) - *tau;
}
if (d__ < dthresh) {
d__ = 0.;
}
*dmin__ = min(*dmin__, d__);
d__1 = emin, d__2 = z__[j4 - 1];
emin = min(d__1, d__2);
}
}
*dnm2 = d__;
*dmin2 = *dmin__;
j4 = (*n0 - 2 << 2) - *pp;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm2 + z__[j4p2];
if (*dnm2 < 0.) {
return 0;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dnm1 = z__[j4p2 + 2] * (*dnm2 / z__[j4 - 2]) - *tau;
}
*dmin__ = min(*dmin__, *dnm1);
*dmin1 = *dmin__;
j4 += 4;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm1 + z__[j4p2];
if (*dnm1 < 0.) {
return 0;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dn = z__[j4p2 + 2] * (*dnm1 / z__[j4 - 2]) - *tau;
}
*dmin__ = min(*dmin__, *dn);
}
}
z__[j4 + 2] = *dn;
z__[(*n0 << 2) - *pp] = emin;
return 0;
}
#ifdef __cplusplus
}
#endif