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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/zsymv.cpp Normal file
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#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
int zsymv_(char *uplo, integer *n, doublecomplex *alpha, doublecomplex *a, integer *lda,
doublecomplex *x, integer *incx, doublecomplex *beta, doublecomplex *y, integer *incy,
ftnlen uplo_len)
{
integer a_dim1, a_offset, i__1, i__2, i__3, i__4, i__5;
doublecomplex z__1, z__2, z__3, z__4;
integer i__, j, ix, iy, jx, jy, kx, ky, info;
doublecomplex temp1, temp2;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int xerbla_(char *, integer *, ftnlen);
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
--x;
--y;
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 (*lda < max(1, *n)) {
info = 5;
} else if (*incx == 0) {
info = 7;
} else if (*incy == 0) {
info = 10;
}
if (info != 0) {
xerbla_((char *)"ZSYMV ", &info, (ftnlen)6);
return 0;
}
if (*n == 0 || alpha->r == 0. && alpha->i == 0. && (beta->r == 1. && beta->i == 0.)) {
return 0;
}
if (*incx > 0) {
kx = 1;
} else {
kx = 1 - (*n - 1) * *incx;
}
if (*incy > 0) {
ky = 1;
} else {
ky = 1 - (*n - 1) * *incy;
}
if (beta->r != 1. || beta->i != 0.) {
if (*incy == 1) {
if (beta->r == 0. && beta->i == 0.) {
i__1 = *n;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__;
y[i__2].r = 0., y[i__2].i = 0.;
}
} else {
i__1 = *n;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__;
i__3 = i__;
z__1.r = beta->r * y[i__3].r - beta->i * y[i__3].i,
z__1.i = beta->r * y[i__3].i + beta->i * y[i__3].r;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
}
}
} else {
iy = ky;
if (beta->r == 0. && beta->i == 0.) {
i__1 = *n;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = iy;
y[i__2].r = 0., y[i__2].i = 0.;
iy += *incy;
}
} else {
i__1 = *n;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = iy;
i__3 = iy;
z__1.r = beta->r * y[i__3].r - beta->i * y[i__3].i,
z__1.i = beta->r * y[i__3].i + beta->i * y[i__3].r;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
iy += *incy;
}
}
}
}
if (alpha->r == 0. && alpha->i == 0.) {
return 0;
}
if (lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1)) {
if (*incx == 1 && *incy == 1) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
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;
temp1.r = z__1.r, temp1.i = z__1.i;
temp2.r = 0., temp2.i = 0.;
i__2 = j - 1;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__;
i__4 = i__;
i__5 = i__ + j * a_dim1;
z__2.r = temp1.r * a[i__5].r - temp1.i * a[i__5].i,
z__2.i = temp1.r * a[i__5].i + temp1.i * a[i__5].r;
z__1.r = y[i__4].r + z__2.r, z__1.i = y[i__4].i + z__2.i;
y[i__3].r = z__1.r, y[i__3].i = z__1.i;
i__3 = i__ + j * a_dim1;
i__4 = i__;
z__2.r = a[i__3].r * x[i__4].r - a[i__3].i * x[i__4].i,
z__2.i = a[i__3].r * x[i__4].i + a[i__3].i * x[i__4].r;
z__1.r = temp2.r + z__2.r, z__1.i = temp2.i + z__2.i;
temp2.r = z__1.r, temp2.i = z__1.i;
}
i__2 = j;
i__3 = j;
i__4 = j + j * a_dim1;
z__3.r = temp1.r * a[i__4].r - temp1.i * a[i__4].i,
z__3.i = temp1.r * a[i__4].i + temp1.i * a[i__4].r;
z__2.r = y[i__3].r + z__3.r, z__2.i = y[i__3].i + z__3.i;
z__4.r = alpha->r * temp2.r - alpha->i * temp2.i,
z__4.i = alpha->r * temp2.i + alpha->i * temp2.r;
z__1.r = z__2.r + z__4.r, z__1.i = z__2.i + z__4.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
}
} else {
jx = kx;
jy = ky;
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
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;
temp1.r = z__1.r, temp1.i = z__1.i;
temp2.r = 0., temp2.i = 0.;
ix = kx;
iy = ky;
i__2 = j - 1;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = iy;
i__4 = iy;
i__5 = i__ + j * a_dim1;
z__2.r = temp1.r * a[i__5].r - temp1.i * a[i__5].i,
z__2.i = temp1.r * a[i__5].i + temp1.i * a[i__5].r;
z__1.r = y[i__4].r + z__2.r, z__1.i = y[i__4].i + z__2.i;
y[i__3].r = z__1.r, y[i__3].i = z__1.i;
i__3 = i__ + j * a_dim1;
i__4 = ix;
z__2.r = a[i__3].r * x[i__4].r - a[i__3].i * x[i__4].i,
z__2.i = a[i__3].r * x[i__4].i + a[i__3].i * x[i__4].r;
z__1.r = temp2.r + z__2.r, z__1.i = temp2.i + z__2.i;
temp2.r = z__1.r, temp2.i = z__1.i;
ix += *incx;
iy += *incy;
}
i__2 = jy;
i__3 = jy;
i__4 = j + j * a_dim1;
z__3.r = temp1.r * a[i__4].r - temp1.i * a[i__4].i,
z__3.i = temp1.r * a[i__4].i + temp1.i * a[i__4].r;
z__2.r = y[i__3].r + z__3.r, z__2.i = y[i__3].i + z__3.i;
z__4.r = alpha->r * temp2.r - alpha->i * temp2.i,
z__4.i = alpha->r * temp2.i + alpha->i * temp2.r;
z__1.r = z__2.r + z__4.r, z__1.i = z__2.i + z__4.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
jx += *incx;
jy += *incy;
}
}
} else {
if (*incx == 1 && *incy == 1) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
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;
temp1.r = z__1.r, temp1.i = z__1.i;
temp2.r = 0., temp2.i = 0.;
i__2 = j;
i__3 = j;
i__4 = j + j * a_dim1;
z__2.r = temp1.r * a[i__4].r - temp1.i * a[i__4].i,
z__2.i = temp1.r * a[i__4].i + temp1.i * a[i__4].r;
z__1.r = y[i__3].r + z__2.r, z__1.i = y[i__3].i + z__2.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
i__2 = *n;
for (i__ = j + 1; i__ <= i__2; ++i__) {
i__3 = i__;
i__4 = i__;
i__5 = i__ + j * a_dim1;
z__2.r = temp1.r * a[i__5].r - temp1.i * a[i__5].i,
z__2.i = temp1.r * a[i__5].i + temp1.i * a[i__5].r;
z__1.r = y[i__4].r + z__2.r, z__1.i = y[i__4].i + z__2.i;
y[i__3].r = z__1.r, y[i__3].i = z__1.i;
i__3 = i__ + j * a_dim1;
i__4 = i__;
z__2.r = a[i__3].r * x[i__4].r - a[i__3].i * x[i__4].i,
z__2.i = a[i__3].r * x[i__4].i + a[i__3].i * x[i__4].r;
z__1.r = temp2.r + z__2.r, z__1.i = temp2.i + z__2.i;
temp2.r = z__1.r, temp2.i = z__1.i;
}
i__2 = j;
i__3 = j;
z__2.r = alpha->r * temp2.r - alpha->i * temp2.i,
z__2.i = alpha->r * temp2.i + alpha->i * temp2.r;
z__1.r = y[i__3].r + z__2.r, z__1.i = y[i__3].i + z__2.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
}
} else {
jx = kx;
jy = ky;
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
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;
temp1.r = z__1.r, temp1.i = z__1.i;
temp2.r = 0., temp2.i = 0.;
i__2 = jy;
i__3 = jy;
i__4 = j + j * a_dim1;
z__2.r = temp1.r * a[i__4].r - temp1.i * a[i__4].i,
z__2.i = temp1.r * a[i__4].i + temp1.i * a[i__4].r;
z__1.r = y[i__3].r + z__2.r, z__1.i = y[i__3].i + z__2.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
ix = jx;
iy = jy;
i__2 = *n;
for (i__ = j + 1; i__ <= i__2; ++i__) {
ix += *incx;
iy += *incy;
i__3 = iy;
i__4 = iy;
i__5 = i__ + j * a_dim1;
z__2.r = temp1.r * a[i__5].r - temp1.i * a[i__5].i,
z__2.i = temp1.r * a[i__5].i + temp1.i * a[i__5].r;
z__1.r = y[i__4].r + z__2.r, z__1.i = y[i__4].i + z__2.i;
y[i__3].r = z__1.r, y[i__3].i = z__1.i;
i__3 = i__ + j * a_dim1;
i__4 = ix;
z__2.r = a[i__3].r * x[i__4].r - a[i__3].i * x[i__4].i,
z__2.i = a[i__3].r * x[i__4].i + a[i__3].i * x[i__4].r;
z__1.r = temp2.r + z__2.r, z__1.i = temp2.i + z__2.i;
temp2.r = z__1.r, temp2.i = z__1.i;
}
i__2 = jy;
i__3 = jy;
z__2.r = alpha->r * temp2.r - alpha->i * temp2.i,
z__2.i = alpha->r * temp2.i + alpha->i * temp2.r;
z__1.r = y[i__3].r + z__2.r, z__1.i = y[i__3].i + z__2.i;
y[i__2].r = z__1.r, y[i__2].i = z__1.i;
jx += *incx;
jy += *incy;
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif