Files
lammps/lib/linalg/dlasq4.cpp

236 lines
7.5 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
int dlasq4_(integer *i0, integer *n0, doublereal *z__, integer *pp, integer *n0in,
doublereal *dmin__, doublereal *dmin1, doublereal *dmin2, doublereal *dn,
doublereal *dn1, doublereal *dn2, doublereal *tau, integer *ttype, doublereal *g)
{
integer i__1;
doublereal d__1, d__2;
double sqrt(doublereal);
doublereal s, a2, b1, b2;
integer i4, nn, np;
doublereal gam, gap1, gap2;
--z__;
if (*dmin__ <= 0.) {
*tau = -(*dmin__);
*ttype = -1;
return 0;
}
nn = (*n0 << 2) + *pp;
if (*n0in == *n0) {
if (*dmin__ == *dn || *dmin__ == *dn1) {
b1 = sqrt(z__[nn - 3]) * sqrt(z__[nn - 5]);
b2 = sqrt(z__[nn - 7]) * sqrt(z__[nn - 9]);
a2 = z__[nn - 7] + z__[nn - 5];
if (*dmin__ == *dn && *dmin1 == *dn1) {
gap2 = *dmin2 - a2 - *dmin2 * .25;
if (gap2 > 0. && gap2 > b2) {
gap1 = a2 - *dn - b2 / gap2 * b2;
} else {
gap1 = a2 - *dn - (b1 + b2);
}
if (gap1 > 0. && gap1 > b1) {
d__1 = *dn - b1 / gap1 * b1, d__2 = *dmin__ * .5;
s = max(d__1, d__2);
*ttype = -2;
} else {
s = 0.;
if (*dn > b1) {
s = *dn - b1;
}
if (a2 > b1 + b2) {
d__1 = s, d__2 = a2 - (b1 + b2);
s = min(d__1, d__2);
}
d__1 = s, d__2 = *dmin__ * .333;
s = max(d__1, d__2);
*ttype = -3;
}
} else {
*ttype = -4;
s = *dmin__ * .25;
if (*dmin__ == *dn) {
gam = *dn;
a2 = 0.;
if (z__[nn - 5] > z__[nn - 7]) {
return 0;
}
b2 = z__[nn - 5] / z__[nn - 7];
np = nn - 9;
} else {
np = nn - (*pp << 1);
gam = *dn1;
if (z__[np - 4] > z__[np - 2]) {
return 0;
}
a2 = z__[np - 4] / z__[np - 2];
if (z__[nn - 9] > z__[nn - 11]) {
return 0;
}
b2 = z__[nn - 9] / z__[nn - 11];
np = nn - 13;
}
a2 += b2;
i__1 = (*i0 << 2) - 1 + *pp;
for (i4 = np; i4 >= i__1; i4 += -4) {
if (b2 == 0.) {
goto L20;
}
b1 = b2;
if (z__[i4] > z__[i4 - 2]) {
return 0;
}
b2 *= z__[i4] / z__[i4 - 2];
a2 += b2;
if (max(b2, b1) * 100. < a2 || .563 < a2) {
goto L20;
}
}
L20:
a2 *= 1.05;
if (a2 < .563) {
s = gam * (1. - sqrt(a2)) / (a2 + 1.);
}
}
} else if (*dmin__ == *dn2) {
*ttype = -5;
s = *dmin__ * .25;
np = nn - (*pp << 1);
b1 = z__[np - 2];
b2 = z__[np - 6];
gam = *dn2;
if (z__[np - 8] > b2 || z__[np - 4] > b1) {
return 0;
}
a2 = z__[np - 8] / b2 * (z__[np - 4] / b1 + 1.);
if (*n0 - *i0 > 2) {
b2 = z__[nn - 13] / z__[nn - 15];
a2 += b2;
i__1 = (*i0 << 2) - 1 + *pp;
for (i4 = nn - 17; i4 >= i__1; i4 += -4) {
if (b2 == 0.) {
goto L40;
}
b1 = b2;
if (z__[i4] > z__[i4 - 2]) {
return 0;
}
b2 *= z__[i4] / z__[i4 - 2];
a2 += b2;
if (max(b2, b1) * 100. < a2 || .563 < a2) {
goto L40;
}
}
L40:
a2 *= 1.05;
}
if (a2 < .563) {
s = gam * (1. - sqrt(a2)) / (a2 + 1.);
}
} else {
if (*ttype == -6) {
*g += (1. - *g) * .333;
} else if (*ttype == -18) {
*g = .083250000000000005;
} else {
*g = .25;
}
s = *g * *dmin__;
*ttype = -6;
}
} else if (*n0in == *n0 + 1) {
if (*dmin1 == *dn1 && *dmin2 == *dn2) {
*ttype = -7;
s = *dmin1 * .333;
if (z__[nn - 5] > z__[nn - 7]) {
return 0;
}
b1 = z__[nn - 5] / z__[nn - 7];
b2 = b1;
if (b2 == 0.) {
goto L60;
}
i__1 = (*i0 << 2) - 1 + *pp;
for (i4 = (*n0 << 2) - 9 + *pp; i4 >= i__1; i4 += -4) {
a2 = b1;
if (z__[i4] > z__[i4 - 2]) {
return 0;
}
b1 *= z__[i4] / z__[i4 - 2];
b2 += b1;
if (max(b1, a2) * 100. < b2) {
goto L60;
}
}
L60:
b2 = sqrt(b2 * 1.05);
d__1 = b2;
a2 = *dmin1 / (d__1 * d__1 + 1.);
gap2 = *dmin2 * .5 - a2;
if (gap2 > 0. && gap2 > b2 * a2) {
d__1 = s, d__2 = a2 * (1. - a2 * 1.01 * (b2 / gap2) * b2);
s = max(d__1, d__2);
} else {
d__1 = s, d__2 = a2 * (1. - b2 * 1.01);
s = max(d__1, d__2);
*ttype = -8;
}
} else {
s = *dmin1 * .25;
if (*dmin1 == *dn1) {
s = *dmin1 * .5;
}
*ttype = -9;
}
} else if (*n0in == *n0 + 2) {
if (*dmin2 == *dn2 && z__[nn - 5] * 2. < z__[nn - 7]) {
*ttype = -10;
s = *dmin2 * .333;
if (z__[nn - 5] > z__[nn - 7]) {
return 0;
}
b1 = z__[nn - 5] / z__[nn - 7];
b2 = b1;
if (b2 == 0.) {
goto L80;
}
i__1 = (*i0 << 2) - 1 + *pp;
for (i4 = (*n0 << 2) - 9 + *pp; i4 >= i__1; i4 += -4) {
if (z__[i4] > z__[i4 - 2]) {
return 0;
}
b1 *= z__[i4] / z__[i4 - 2];
b2 += b1;
if (b1 * 100. < b2) {
goto L80;
}
}
L80:
b2 = sqrt(b2 * 1.05);
d__1 = b2;
a2 = *dmin2 / (d__1 * d__1 + 1.);
gap2 = z__[nn - 7] + z__[nn - 9] - sqrt(z__[nn - 11]) * sqrt(z__[nn - 9]) - a2;
if (gap2 > 0. && gap2 > b2 * a2) {
d__1 = s, d__2 = a2 * (1. - a2 * 1.01 * (b2 / gap2) * b2);
s = max(d__1, d__2);
} else {
d__1 = s, d__2 = a2 * (1. - b2 * 1.01);
s = max(d__1, d__2);
}
} else {
s = *dmin2 * .25;
*ttype = -11;
}
} else if (*n0in > *n0 + 2) {
s = 0.;
*ttype = -12;
}
*tau = s;
return 0;
}
#ifdef __cplusplus
}
#endif