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update linalg for ML-QUIP

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Axel Kohlmeyer
2024-11-09 04:04:52 -05:00
parent 324e795237
commit a1a2a54f72
69 changed files with 15699 additions and 0 deletions
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lib/linalg/zsyr.cpp Normal file
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#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
int zsyr_(char *uplo, integer *n, doublecomplex *alpha, doublecomplex *x, integer *incx,
doublecomplex *a, integer *lda, ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2, i__3, i__4, i__5;
doublecomplex z__1, z__2;
integer i__, j, ix, jx, kx, info;
doublecomplex temp;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int xerbla_(char *, integer *, ftnlen);
--x;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
info = 0;
if (!lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1) && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
info = 1;
} else if (*n < 0) {
info = 2;
} else if (*incx == 0) {
info = 5;
} else if (*lda < max(1, *n)) {
info = 7;
}
if (info != 0) {
xerbla_((char *)"ZSYR ", &info, (ftnlen)6);
return 0;
}
if (*n == 0 || alpha->r == 0. && alpha->i == 0.) {
return 0;
}
if (*incx <= 0) {
kx = 1 - (*n - 1) * *incx;
} else if (*incx != 1) {
kx = 1;
}
if (lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1)) {
if (*incx == 1) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = j;
if (x[i__2].r != 0. || x[i__2].i != 0.) {
i__2 = j;
z__1.r = alpha->r * x[i__2].r - alpha->i * x[i__2].i,
z__1.i = alpha->r * x[i__2].i + alpha->i * x[i__2].r;
temp.r = z__1.r, temp.i = z__1.i;
i__2 = j;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * a_dim1;
i__4 = i__ + j * a_dim1;
i__5 = i__;
z__2.r = x[i__5].r * temp.r - x[i__5].i * temp.i,
z__2.i = x[i__5].r * temp.i + x[i__5].i * temp.r;
z__1.r = a[i__4].r + z__2.r, z__1.i = a[i__4].i + z__2.i;
a[i__3].r = z__1.r, a[i__3].i = z__1.i;
}
}
}
} else {
jx = kx;
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = jx;
if (x[i__2].r != 0. || x[i__2].i != 0.) {
i__2 = jx;
z__1.r = alpha->r * x[i__2].r - alpha->i * x[i__2].i,
z__1.i = alpha->r * x[i__2].i + alpha->i * x[i__2].r;
temp.r = z__1.r, temp.i = z__1.i;
ix = kx;
i__2 = j;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * a_dim1;
i__4 = i__ + j * a_dim1;
i__5 = ix;
z__2.r = x[i__5].r * temp.r - x[i__5].i * temp.i,
z__2.i = x[i__5].r * temp.i + x[i__5].i * temp.r;
z__1.r = a[i__4].r + z__2.r, z__1.i = a[i__4].i + z__2.i;
a[i__3].r = z__1.r, a[i__3].i = z__1.i;
ix += *incx;
}
}
jx += *incx;
}
}
} else {
if (*incx == 1) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = j;
if (x[i__2].r != 0. || x[i__2].i != 0.) {
i__2 = j;
z__1.r = alpha->r * x[i__2].r - alpha->i * x[i__2].i,
z__1.i = alpha->r * x[i__2].i + alpha->i * x[i__2].r;
temp.r = z__1.r, temp.i = z__1.i;
i__2 = *n;
for (i__ = j; i__ <= i__2; ++i__) {
i__3 = i__ + j * a_dim1;
i__4 = i__ + j * a_dim1;
i__5 = i__;
z__2.r = x[i__5].r * temp.r - x[i__5].i * temp.i,
z__2.i = x[i__5].r * temp.i + x[i__5].i * temp.r;
z__1.r = a[i__4].r + z__2.r, z__1.i = a[i__4].i + z__2.i;
a[i__3].r = z__1.r, a[i__3].i = z__1.i;
}
}
}
} else {
jx = kx;
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = jx;
if (x[i__2].r != 0. || x[i__2].i != 0.) {
i__2 = jx;
z__1.r = alpha->r * x[i__2].r - alpha->i * x[i__2].i,
z__1.i = alpha->r * x[i__2].i + alpha->i * x[i__2].r;
temp.r = z__1.r, temp.i = z__1.i;
ix = jx;
i__2 = *n;
for (i__ = j; i__ <= i__2; ++i__) {
i__3 = i__ + j * a_dim1;
i__4 = i__ + j * a_dim1;
i__5 = ix;
z__2.r = x[i__5].r * temp.r - x[i__5].i * temp.i,
z__2.i = x[i__5].r * temp.i + x[i__5].i * temp.r;
z__1.r = a[i__4].r + z__2.r, z__1.i = a[i__4].i + z__2.i;
a[i__3].r = z__1.r, a[i__3].i = z__1.i;
ix += *incx;
}
}
jx += *incx;
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif