Files
lammps/lib/linalg/dsygs2.cpp

158 lines
6.4 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static doublereal c_b6 = -1.;
static integer c__1 = 1;
static doublereal c_b27 = 1.;
int dsygs2_(integer *itype, char *uplo, integer *n, doublereal *a, integer *lda, doublereal *b,
integer *ldb, integer *info, ftnlen uplo_len)
{
integer a_dim1, a_offset, b_dim1, b_offset, i__1, i__2;
doublereal d__1;
integer k;
doublereal ct, akk, bkk;
extern int dsyr2_(char *, integer *, doublereal *, doublereal *, integer *, doublereal *,
integer *, doublereal *, integer *, ftnlen),
dscal_(integer *, doublereal *, doublereal *, integer *);
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int daxpy_(integer *, doublereal *, doublereal *, integer *, doublereal *, integer *);
logical upper;
extern int dtrmv_(char *, char *, char *, integer *, doublereal *, integer *, doublereal *,
integer *, ftnlen, ftnlen, ftnlen),
dtrsv_(char *, char *, char *, integer *, doublereal *, integer *, doublereal *, integer *,
ftnlen, ftnlen, ftnlen),
xerbla_(char *, integer *, ftnlen);
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
b_dim1 = *ldb;
b_offset = 1 + b_dim1;
b -= b_offset;
*info = 0;
upper = lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1);
if (*itype < 1 || *itype > 3) {
*info = -1;
} else if (!upper && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
*info = -2;
} else if (*n < 0) {
*info = -3;
} else if (*lda < max(1, *n)) {
*info = -5;
} else if (*ldb < max(1, *n)) {
*info = -7;
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"DSYGS2", &i__1, (ftnlen)6);
return 0;
}
if (*itype == 1) {
if (upper) {
i__1 = *n;
for (k = 1; k <= i__1; ++k) {
akk = a[k + k * a_dim1];
bkk = b[k + k * b_dim1];
d__1 = bkk;
akk /= d__1 * d__1;
a[k + k * a_dim1] = akk;
if (k < *n) {
i__2 = *n - k;
d__1 = 1. / bkk;
dscal_(&i__2, &d__1, &a[k + (k + 1) * a_dim1], lda);
ct = akk * -.5;
i__2 = *n - k;
daxpy_(&i__2, &ct, &b[k + (k + 1) * b_dim1], ldb, &a[k + (k + 1) * a_dim1],
lda);
i__2 = *n - k;
dsyr2_(uplo, &i__2, &c_b6, &a[k + (k + 1) * a_dim1], lda,
&b[k + (k + 1) * b_dim1], ldb, &a[k + 1 + (k + 1) * a_dim1], lda,
(ftnlen)1);
i__2 = *n - k;
daxpy_(&i__2, &ct, &b[k + (k + 1) * b_dim1], ldb, &a[k + (k + 1) * a_dim1],
lda);
i__2 = *n - k;
dtrsv_(uplo, (char *)"T", (char *)"N", &i__2, &b[k + 1 + (k + 1) * b_dim1], ldb,
&a[k + (k + 1) * a_dim1], lda, (ftnlen)1, (ftnlen)1, (ftnlen)1);
}
}
} else {
i__1 = *n;
for (k = 1; k <= i__1; ++k) {
akk = a[k + k * a_dim1];
bkk = b[k + k * b_dim1];
d__1 = bkk;
akk /= d__1 * d__1;
a[k + k * a_dim1] = akk;
if (k < *n) {
i__2 = *n - k;
d__1 = 1. / bkk;
dscal_(&i__2, &d__1, &a[k + 1 + k * a_dim1], &c__1);
ct = akk * -.5;
i__2 = *n - k;
daxpy_(&i__2, &ct, &b[k + 1 + k * b_dim1], &c__1, &a[k + 1 + k * a_dim1],
&c__1);
i__2 = *n - k;
dsyr2_(uplo, &i__2, &c_b6, &a[k + 1 + k * a_dim1], &c__1,
&b[k + 1 + k * b_dim1], &c__1, &a[k + 1 + (k + 1) * a_dim1], lda,
(ftnlen)1);
i__2 = *n - k;
daxpy_(&i__2, &ct, &b[k + 1 + k * b_dim1], &c__1, &a[k + 1 + k * a_dim1],
&c__1);
i__2 = *n - k;
dtrsv_(uplo, (char *)"N", (char *)"N", &i__2, &b[k + 1 + (k + 1) * b_dim1], ldb,
&a[k + 1 + k * a_dim1], &c__1, (ftnlen)1, (ftnlen)1, (ftnlen)1);
}
}
}
} else {
if (upper) {
i__1 = *n;
for (k = 1; k <= i__1; ++k) {
akk = a[k + k * a_dim1];
bkk = b[k + k * b_dim1];
i__2 = k - 1;
dtrmv_(uplo, (char *)"N", (char *)"N", &i__2, &b[b_offset], ldb, &a[k * a_dim1 + 1], &c__1,
(ftnlen)1, (ftnlen)1, (ftnlen)1);
ct = akk * .5;
i__2 = k - 1;
daxpy_(&i__2, &ct, &b[k * b_dim1 + 1], &c__1, &a[k * a_dim1 + 1], &c__1);
i__2 = k - 1;
dsyr2_(uplo, &i__2, &c_b27, &a[k * a_dim1 + 1], &c__1, &b[k * b_dim1 + 1], &c__1,
&a[a_offset], lda, (ftnlen)1);
i__2 = k - 1;
daxpy_(&i__2, &ct, &b[k * b_dim1 + 1], &c__1, &a[k * a_dim1 + 1], &c__1);
i__2 = k - 1;
dscal_(&i__2, &bkk, &a[k * a_dim1 + 1], &c__1);
d__1 = bkk;
a[k + k * a_dim1] = akk * (d__1 * d__1);
}
} else {
i__1 = *n;
for (k = 1; k <= i__1; ++k) {
akk = a[k + k * a_dim1];
bkk = b[k + k * b_dim1];
i__2 = k - 1;
dtrmv_(uplo, (char *)"T", (char *)"N", &i__2, &b[b_offset], ldb, &a[k + a_dim1], lda, (ftnlen)1,
(ftnlen)1, (ftnlen)1);
ct = akk * .5;
i__2 = k - 1;
daxpy_(&i__2, &ct, &b[k + b_dim1], ldb, &a[k + a_dim1], lda);
i__2 = k - 1;
dsyr2_(uplo, &i__2, &c_b27, &a[k + a_dim1], lda, &b[k + b_dim1], ldb, &a[a_offset],
lda, (ftnlen)1);
i__2 = k - 1;
daxpy_(&i__2, &ct, &b[k + b_dim1], ldb, &a[k + a_dim1], lda);
i__2 = k - 1;
dscal_(&i__2, &bkk, &a[k + a_dim1], lda);
d__1 = bkk;
a[k + k * a_dim1] = akk * (d__1 * d__1);
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif