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lammps/lib/linalg/dsytf2.cpp
2024-11-09 04:14:11 -05:00

247 lines
8.9 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static integer c__1 = 1;
int dsytf2_(char *uplo, integer *n, doublereal *a, integer *lda, integer *ipiv, integer *info,
ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2;
doublereal d__1, d__2, d__3;
double sqrt(doublereal);
integer i__, j, k;
doublereal t, r1, d11, d12, d21, d22;
integer kk, kp;
doublereal wk, wkm1, wkp1;
integer imax, jmax;
extern int dsyr_(char *, integer *, doublereal *, doublereal *, integer *, doublereal *,
integer *, ftnlen);
doublereal alpha;
extern int dscal_(integer *, doublereal *, doublereal *, integer *);
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int dswap_(integer *, doublereal *, integer *, doublereal *, integer *);
integer kstep;
logical upper;
doublereal absakk;
extern integer idamax_(integer *, doublereal *, integer *);
extern logical disnan_(doublereal *);
extern int xerbla_(char *, integer *, ftnlen);
doublereal colmax, rowmax;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
--ipiv;
*info = 0;
upper = lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1);
if (!upper && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
*info = -1;
} else if (*n < 0) {
*info = -2;
} else if (*lda < max(1, *n)) {
*info = -4;
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"DSYTF2", &i__1, (ftnlen)6);
return 0;
}
alpha = (sqrt(17.) + 1.) / 8.;
if (upper) {
k = *n;
L10:
if (k < 1) {
goto L70;
}
kstep = 1;
absakk = (d__1 = a[k + k * a_dim1], abs(d__1));
if (k > 1) {
i__1 = k - 1;
imax = idamax_(&i__1, &a[k * a_dim1 + 1], &c__1);
colmax = (d__1 = a[imax + k * a_dim1], abs(d__1));
} else {
colmax = 0.;
}
if (max(absakk, colmax) == 0. || disnan_(&absakk)) {
if (*info == 0) {
*info = k;
}
kp = k;
} else {
if (absakk >= alpha * colmax) {
kp = k;
} else {
i__1 = k - imax;
jmax = imax + idamax_(&i__1, &a[imax + (imax + 1) * a_dim1], lda);
rowmax = (d__1 = a[imax + jmax * a_dim1], abs(d__1));
if (imax > 1) {
i__1 = imax - 1;
jmax = idamax_(&i__1, &a[imax * a_dim1 + 1], &c__1);
d__2 = rowmax, d__3 = (d__1 = a[jmax + imax * a_dim1], abs(d__1));
rowmax = max(d__2, d__3);
}
if (absakk >= alpha * colmax * (colmax / rowmax)) {
kp = k;
} else if ((d__1 = a[imax + imax * a_dim1], abs(d__1)) >= alpha * rowmax) {
kp = imax;
} else {
kp = imax;
kstep = 2;
}
}
kk = k - kstep + 1;
if (kp != kk) {
i__1 = kp - 1;
dswap_(&i__1, &a[kk * a_dim1 + 1], &c__1, &a[kp * a_dim1 + 1], &c__1);
i__1 = kk - kp - 1;
dswap_(&i__1, &a[kp + 1 + kk * a_dim1], &c__1, &a[kp + (kp + 1) * a_dim1], lda);
t = a[kk + kk * a_dim1];
a[kk + kk * a_dim1] = a[kp + kp * a_dim1];
a[kp + kp * a_dim1] = t;
if (kstep == 2) {
t = a[k - 1 + k * a_dim1];
a[k - 1 + k * a_dim1] = a[kp + k * a_dim1];
a[kp + k * a_dim1] = t;
}
}
if (kstep == 1) {
r1 = 1. / a[k + k * a_dim1];
i__1 = k - 1;
d__1 = -r1;
dsyr_(uplo, &i__1, &d__1, &a[k * a_dim1 + 1], &c__1, &a[a_offset], lda, (ftnlen)1);
i__1 = k - 1;
dscal_(&i__1, &r1, &a[k * a_dim1 + 1], &c__1);
} else {
if (k > 2) {
d12 = a[k - 1 + k * a_dim1];
d22 = a[k - 1 + (k - 1) * a_dim1] / d12;
d11 = a[k + k * a_dim1] / d12;
t = 1. / (d11 * d22 - 1.);
d12 = t / d12;
for (j = k - 2; j >= 1; --j) {
wkm1 = d12 * (d11 * a[j + (k - 1) * a_dim1] - a[j + k * a_dim1]);
wk = d12 * (d22 * a[j + k * a_dim1] - a[j + (k - 1) * a_dim1]);
for (i__ = j; i__ >= 1; --i__) {
a[i__ + j * a_dim1] = a[i__ + j * a_dim1] - a[i__ + k * a_dim1] * wk -
a[i__ + (k - 1) * a_dim1] * wkm1;
}
a[j + k * a_dim1] = wk;
a[j + (k - 1) * a_dim1] = wkm1;
}
}
}
}
if (kstep == 1) {
ipiv[k] = kp;
} else {
ipiv[k] = -kp;
ipiv[k - 1] = -kp;
}
k -= kstep;
goto L10;
} else {
k = 1;
L40:
if (k > *n) {
goto L70;
}
kstep = 1;
absakk = (d__1 = a[k + k * a_dim1], abs(d__1));
if (k < *n) {
i__1 = *n - k;
imax = k + idamax_(&i__1, &a[k + 1 + k * a_dim1], &c__1);
colmax = (d__1 = a[imax + k * a_dim1], abs(d__1));
} else {
colmax = 0.;
}
if (max(absakk, colmax) == 0. || disnan_(&absakk)) {
if (*info == 0) {
*info = k;
}
kp = k;
} else {
if (absakk >= alpha * colmax) {
kp = k;
} else {
i__1 = imax - k;
jmax = k - 1 + idamax_(&i__1, &a[imax + k * a_dim1], lda);
rowmax = (d__1 = a[imax + jmax * a_dim1], abs(d__1));
if (imax < *n) {
i__1 = *n - imax;
jmax = imax + idamax_(&i__1, &a[imax + 1 + imax * a_dim1], &c__1);
d__2 = rowmax, d__3 = (d__1 = a[jmax + imax * a_dim1], abs(d__1));
rowmax = max(d__2, d__3);
}
if (absakk >= alpha * colmax * (colmax / rowmax)) {
kp = k;
} else if ((d__1 = a[imax + imax * a_dim1], abs(d__1)) >= alpha * rowmax) {
kp = imax;
} else {
kp = imax;
kstep = 2;
}
}
kk = k + kstep - 1;
if (kp != kk) {
if (kp < *n) {
i__1 = *n - kp;
dswap_(&i__1, &a[kp + 1 + kk * a_dim1], &c__1, &a[kp + 1 + kp * a_dim1], &c__1);
}
i__1 = kp - kk - 1;
dswap_(&i__1, &a[kk + 1 + kk * a_dim1], &c__1, &a[kp + (kk + 1) * a_dim1], lda);
t = a[kk + kk * a_dim1];
a[kk + kk * a_dim1] = a[kp + kp * a_dim1];
a[kp + kp * a_dim1] = t;
if (kstep == 2) {
t = a[k + 1 + k * a_dim1];
a[k + 1 + k * a_dim1] = a[kp + k * a_dim1];
a[kp + k * a_dim1] = t;
}
}
if (kstep == 1) {
if (k < *n) {
d11 = 1. / a[k + k * a_dim1];
i__1 = *n - k;
d__1 = -d11;
dsyr_(uplo, &i__1, &d__1, &a[k + 1 + k * a_dim1], &c__1,
&a[k + 1 + (k + 1) * a_dim1], lda, (ftnlen)1);
i__1 = *n - k;
dscal_(&i__1, &d11, &a[k + 1 + k * a_dim1], &c__1);
}
} else {
if (k < *n - 1) {
d21 = a[k + 1 + k * a_dim1];
d11 = a[k + 1 + (k + 1) * a_dim1] / d21;
d22 = a[k + k * a_dim1] / d21;
t = 1. / (d11 * d22 - 1.);
d21 = t / d21;
i__1 = *n;
for (j = k + 2; j <= i__1; ++j) {
wk = d21 * (d11 * a[j + k * a_dim1] - a[j + (k + 1) * a_dim1]);
wkp1 = d21 * (d22 * a[j + (k + 1) * a_dim1] - a[j + k * a_dim1]);
i__2 = *n;
for (i__ = j; i__ <= i__2; ++i__) {
a[i__ + j * a_dim1] = a[i__ + j * a_dim1] - a[i__ + k * a_dim1] * wk -
a[i__ + (k + 1) * a_dim1] * wkp1;
}
a[j + k * a_dim1] = wk;
a[j + (k + 1) * a_dim1] = wkp1;
}
}
}
}
if (kstep == 1) {
ipiv[k] = kp;
} else {
ipiv[k] = -kp;
ipiv[k + 1] = -kp;
}
k += kstep;
goto L40;
}
L70:
return 0;
}
#ifdef __cplusplus
}
#endif