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lammps/lib/linalg/dpotf2.cpp

96 lines
3.1 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static integer c__1 = 1;
static doublereal c_b10 = -1.;
static doublereal c_b12 = 1.;
int dpotf2_(char *uplo, integer *n, doublereal *a, integer *lda, integer *info, ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2, i__3;
doublereal d__1;
double sqrt(doublereal);
integer j;
doublereal ajj;
extern doublereal ddot_(integer *, doublereal *, integer *, doublereal *, integer *);
extern int dscal_(integer *, doublereal *, doublereal *, integer *);
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int dgemv_(char *, integer *, integer *, doublereal *, doublereal *, integer *,
doublereal *, integer *, doublereal *, doublereal *, integer *, ftnlen);
logical upper;
extern logical disnan_(doublereal *);
extern int xerbla_(char *, integer *, ftnlen);
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
*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 *)"DPOTF2", &i__1, (ftnlen)6);
return 0;
}
if (*n == 0) {
return 0;
}
if (upper) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = j - 1;
ajj = a[j + j * a_dim1] -
ddot_(&i__2, &a[j * a_dim1 + 1], &c__1, &a[j * a_dim1 + 1], &c__1);
if (ajj <= 0. || disnan_(&ajj)) {
a[j + j * a_dim1] = ajj;
goto L30;
}
ajj = sqrt(ajj);
a[j + j * a_dim1] = ajj;
if (j < *n) {
i__2 = j - 1;
i__3 = *n - j;
dgemv_((char *)"T", &i__2, &i__3, &c_b10, &a[(j + 1) * a_dim1 + 1], lda, &a[j * a_dim1 + 1],
&c__1, &c_b12, &a[j + (j + 1) * a_dim1], lda, (ftnlen)1);
i__2 = *n - j;
d__1 = 1. / ajj;
dscal_(&i__2, &d__1, &a[j + (j + 1) * a_dim1], lda);
}
}
} else {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = j - 1;
ajj = a[j + j * a_dim1] - ddot_(&i__2, &a[j + a_dim1], lda, &a[j + a_dim1], lda);
if (ajj <= 0. || disnan_(&ajj)) {
a[j + j * a_dim1] = ajj;
goto L30;
}
ajj = sqrt(ajj);
a[j + j * a_dim1] = ajj;
if (j < *n) {
i__2 = *n - j;
i__3 = j - 1;
dgemv_((char *)"N", &i__2, &i__3, &c_b10, &a[j + 1 + a_dim1], lda, &a[j + a_dim1], lda,
&c_b12, &a[j + 1 + j * a_dim1], &c__1, (ftnlen)1);
i__2 = *n - j;
d__1 = 1. / ajj;
dscal_(&i__2, &d__1, &a[j + 1 + j * a_dim1], &c__1);
}
}
}
goto L40;
L30:
*info = j;
L40:
return 0;
}
#ifdef __cplusplus
}
#endif