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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/ztrsm.cpp Normal file
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#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static doublecomplex c_b1 = {1., 0.};
int ztrsm_(char *side, char *uplo, char *transa, char *diag, integer *m, integer *n,
doublecomplex *alpha, doublecomplex *a, integer *lda, doublecomplex *b, integer *ldb,
ftnlen side_len, ftnlen uplo_len, ftnlen transa_len, ftnlen diag_len)
{
integer a_dim1, a_offset, b_dim1, b_offset, i__1, i__2, i__3, i__4, i__5, i__6, i__7;
doublecomplex z__1, z__2, z__3;
void z_lmp_div(doublecomplex *, doublecomplex *, doublecomplex *),
d_lmp_cnjg(doublecomplex *, doublecomplex *);
integer i__, j, k, info;
doublecomplex temp;
logical lside;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
integer nrowa;
logical upper;
extern int xerbla_(char *, integer *, ftnlen);
logical noconj, nounit;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
b_dim1 = *ldb;
b_offset = 1 + b_dim1;
b -= b_offset;
lside = lsame_(side, (char *)"L", (ftnlen)1, (ftnlen)1);
if (lside) {
nrowa = *m;
} else {
nrowa = *n;
}
noconj = lsame_(transa, (char *)"T", (ftnlen)1, (ftnlen)1);
nounit = lsame_(diag, (char *)"N", (ftnlen)1, (ftnlen)1);
upper = lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1);
info = 0;
if (!lside && !lsame_(side, (char *)"R", (ftnlen)1, (ftnlen)1)) {
info = 1;
} else if (!upper && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
info = 2;
} else if (!lsame_(transa, (char *)"N", (ftnlen)1, (ftnlen)1) &&
!lsame_(transa, (char *)"T", (ftnlen)1, (ftnlen)1) &&
!lsame_(transa, (char *)"C", (ftnlen)1, (ftnlen)1)) {
info = 3;
} else if (!lsame_(diag, (char *)"U", (ftnlen)1, (ftnlen)1) &&
!lsame_(diag, (char *)"N", (ftnlen)1, (ftnlen)1)) {
info = 4;
} else if (*m < 0) {
info = 5;
} else if (*n < 0) {
info = 6;
} else if (*lda < max(1, nrowa)) {
info = 9;
} else if (*ldb < max(1, *m)) {
info = 11;
}
if (info != 0) {
xerbla_((char *)"ZTRSM ", &info, (ftnlen)6);
return 0;
}
if (*m == 0 || *n == 0) {
return 0;
}
if (alpha->r == 0. && alpha->i == 0.) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
b[i__3].r = 0., b[i__3].i = 0.;
}
}
return 0;
}
if (lside) {
if (lsame_(transa, (char *)"N", (ftnlen)1, (ftnlen)1)) {
if (upper) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
if (alpha->r != 1. || alpha->i != 0.) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__4].r - alpha->i * b[i__4].i,
z__1.i = alpha->r * b[i__4].i + alpha->i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
for (k = *m; k >= 1; --k) {
i__2 = k + j * b_dim1;
if (b[i__2].r != 0. || b[i__2].i != 0.) {
if (nounit) {
i__2 = k + j * b_dim1;
z_lmp_div(&z__1, &b[k + j * b_dim1], &a[k + k * a_dim1]);
b[i__2].r = z__1.r, b[i__2].i = z__1.i;
}
i__2 = k - 1;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
i__5 = k + j * b_dim1;
i__6 = i__ + k * a_dim1;
z__2.r = b[i__5].r * a[i__6].r - b[i__5].i * a[i__6].i,
z__2.i = b[i__5].r * a[i__6].i + b[i__5].i * a[i__6].r;
z__1.r = b[i__4].r - z__2.r, z__1.i = b[i__4].i - z__2.i;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
}
}
} else {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
if (alpha->r != 1. || alpha->i != 0.) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__4].r - alpha->i * b[i__4].i,
z__1.i = alpha->r * b[i__4].i + alpha->i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
i__2 = *m;
for (k = 1; k <= i__2; ++k) {
i__3 = k + j * b_dim1;
if (b[i__3].r != 0. || b[i__3].i != 0.) {
if (nounit) {
i__3 = k + j * b_dim1;
z_lmp_div(&z__1, &b[k + j * b_dim1], &a[k + k * a_dim1]);
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
i__3 = *m;
for (i__ = k + 1; i__ <= i__3; ++i__) {
i__4 = i__ + j * b_dim1;
i__5 = i__ + j * b_dim1;
i__6 = k + j * b_dim1;
i__7 = i__ + k * a_dim1;
z__2.r = b[i__6].r * a[i__7].r - b[i__6].i * a[i__7].i,
z__2.i = b[i__6].r * a[i__7].i + b[i__6].i * a[i__7].r;
z__1.r = b[i__5].r - z__2.r, z__1.i = b[i__5].i - z__2.i;
b[i__4].r = z__1.r, b[i__4].i = z__1.i;
}
}
}
}
}
} else {
if (upper) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__3].r - alpha->i * b[i__3].i,
z__1.i = alpha->r * b[i__3].i + alpha->i * b[i__3].r;
temp.r = z__1.r, temp.i = z__1.i;
if (noconj) {
i__3 = i__ - 1;
for (k = 1; k <= i__3; ++k) {
i__4 = k + i__ * a_dim1;
i__5 = k + j * b_dim1;
z__2.r = a[i__4].r * b[i__5].r - a[i__4].i * b[i__5].i,
z__2.i = a[i__4].r * b[i__5].i + a[i__4].i * b[i__5].r;
z__1.r = temp.r - z__2.r, z__1.i = temp.i - z__2.i;
temp.r = z__1.r, temp.i = z__1.i;
}
if (nounit) {
z_lmp_div(&z__1, &temp, &a[i__ + i__ * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
}
} else {
i__3 = i__ - 1;
for (k = 1; k <= i__3; ++k) {
d_lmp_cnjg(&z__3, &a[k + i__ * a_dim1]);
i__4 = k + j * b_dim1;
z__2.r = z__3.r * b[i__4].r - z__3.i * b[i__4].i,
z__2.i = z__3.r * b[i__4].i + z__3.i * b[i__4].r;
z__1.r = temp.r - z__2.r, z__1.i = temp.i - z__2.i;
temp.r = z__1.r, temp.i = z__1.i;
}
if (nounit) {
d_lmp_cnjg(&z__2, &a[i__ + i__ * a_dim1]);
z_lmp_div(&z__1, &temp, &z__2);
temp.r = z__1.r, temp.i = z__1.i;
}
}
i__3 = i__ + j * b_dim1;
b[i__3].r = temp.r, b[i__3].i = temp.i;
}
}
} else {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
for (i__ = *m; i__ >= 1; --i__) {
i__2 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__2].r - alpha->i * b[i__2].i,
z__1.i = alpha->r * b[i__2].i + alpha->i * b[i__2].r;
temp.r = z__1.r, temp.i = z__1.i;
if (noconj) {
i__2 = *m;
for (k = i__ + 1; k <= i__2; ++k) {
i__3 = k + i__ * a_dim1;
i__4 = k + j * b_dim1;
z__2.r = a[i__3].r * b[i__4].r - a[i__3].i * b[i__4].i,
z__2.i = a[i__3].r * b[i__4].i + a[i__3].i * b[i__4].r;
z__1.r = temp.r - z__2.r, z__1.i = temp.i - z__2.i;
temp.r = z__1.r, temp.i = z__1.i;
}
if (nounit) {
z_lmp_div(&z__1, &temp, &a[i__ + i__ * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
}
} else {
i__2 = *m;
for (k = i__ + 1; k <= i__2; ++k) {
d_lmp_cnjg(&z__3, &a[k + i__ * a_dim1]);
i__3 = k + j * b_dim1;
z__2.r = z__3.r * b[i__3].r - z__3.i * b[i__3].i,
z__2.i = z__3.r * b[i__3].i + z__3.i * b[i__3].r;
z__1.r = temp.r - z__2.r, z__1.i = temp.i - z__2.i;
temp.r = z__1.r, temp.i = z__1.i;
}
if (nounit) {
d_lmp_cnjg(&z__2, &a[i__ + i__ * a_dim1]);
z_lmp_div(&z__1, &temp, &z__2);
temp.r = z__1.r, temp.i = z__1.i;
}
}
i__2 = i__ + j * b_dim1;
b[i__2].r = temp.r, b[i__2].i = temp.i;
}
}
}
}
} else {
if (lsame_(transa, (char *)"N", (ftnlen)1, (ftnlen)1)) {
if (upper) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
if (alpha->r != 1. || alpha->i != 0.) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__4].r - alpha->i * b[i__4].i,
z__1.i = alpha->r * b[i__4].i + alpha->i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
i__2 = j - 1;
for (k = 1; k <= i__2; ++k) {
i__3 = k + j * a_dim1;
if (a[i__3].r != 0. || a[i__3].i != 0.) {
i__3 = *m;
for (i__ = 1; i__ <= i__3; ++i__) {
i__4 = i__ + j * b_dim1;
i__5 = i__ + j * b_dim1;
i__6 = k + j * a_dim1;
i__7 = i__ + k * b_dim1;
z__2.r = a[i__6].r * b[i__7].r - a[i__6].i * b[i__7].i,
z__2.i = a[i__6].r * b[i__7].i + a[i__6].i * b[i__7].r;
z__1.r = b[i__5].r - z__2.r, z__1.i = b[i__5].i - z__2.i;
b[i__4].r = z__1.r, b[i__4].i = z__1.i;
}
}
}
if (nounit) {
z_lmp_div(&z__1, &c_b1, &a[j + j * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
z__1.r = temp.r * b[i__4].r - temp.i * b[i__4].i,
z__1.i = temp.r * b[i__4].i + temp.i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
}
} else {
for (j = *n; j >= 1; --j) {
if (alpha->r != 1. || alpha->i != 0.) {
i__1 = *m;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__ + j * b_dim1;
i__3 = i__ + j * b_dim1;
z__1.r = alpha->r * b[i__3].r - alpha->i * b[i__3].i,
z__1.i = alpha->r * b[i__3].i + alpha->i * b[i__3].r;
b[i__2].r = z__1.r, b[i__2].i = z__1.i;
}
}
i__1 = *n;
for (k = j + 1; k <= i__1; ++k) {
i__2 = k + j * a_dim1;
if (a[i__2].r != 0. || a[i__2].i != 0.) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
i__5 = k + j * a_dim1;
i__6 = i__ + k * b_dim1;
z__2.r = a[i__5].r * b[i__6].r - a[i__5].i * b[i__6].i,
z__2.i = a[i__5].r * b[i__6].i + a[i__5].i * b[i__6].r;
z__1.r = b[i__4].r - z__2.r, z__1.i = b[i__4].i - z__2.i;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
}
if (nounit) {
z_lmp_div(&z__1, &c_b1, &a[j + j * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
i__1 = *m;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__ + j * b_dim1;
i__3 = i__ + j * b_dim1;
z__1.r = temp.r * b[i__3].r - temp.i * b[i__3].i,
z__1.i = temp.r * b[i__3].i + temp.i * b[i__3].r;
b[i__2].r = z__1.r, b[i__2].i = z__1.i;
}
}
}
}
} else {
if (upper) {
for (k = *n; k >= 1; --k) {
if (nounit) {
if (noconj) {
z_lmp_div(&z__1, &c_b1, &a[k + k * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
} else {
d_lmp_cnjg(&z__2, &a[k + k * a_dim1]);
z_lmp_div(&z__1, &c_b1, &z__2);
temp.r = z__1.r, temp.i = z__1.i;
}
i__1 = *m;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__ + k * b_dim1;
i__3 = i__ + k * b_dim1;
z__1.r = temp.r * b[i__3].r - temp.i * b[i__3].i,
z__1.i = temp.r * b[i__3].i + temp.i * b[i__3].r;
b[i__2].r = z__1.r, b[i__2].i = z__1.i;
}
}
i__1 = k - 1;
for (j = 1; j <= i__1; ++j) {
i__2 = j + k * a_dim1;
if (a[i__2].r != 0. || a[i__2].i != 0.) {
if (noconj) {
i__2 = j + k * a_dim1;
temp.r = a[i__2].r, temp.i = a[i__2].i;
} else {
d_lmp_cnjg(&z__1, &a[j + k * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
}
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + j * b_dim1;
i__4 = i__ + j * b_dim1;
i__5 = i__ + k * b_dim1;
z__2.r = temp.r * b[i__5].r - temp.i * b[i__5].i,
z__2.i = temp.r * b[i__5].i + temp.i * b[i__5].r;
z__1.r = b[i__4].r - z__2.r, z__1.i = b[i__4].i - z__2.i;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
}
if (alpha->r != 1. || alpha->i != 0.) {
i__1 = *m;
for (i__ = 1; i__ <= i__1; ++i__) {
i__2 = i__ + k * b_dim1;
i__3 = i__ + k * b_dim1;
z__1.r = alpha->r * b[i__3].r - alpha->i * b[i__3].i,
z__1.i = alpha->r * b[i__3].i + alpha->i * b[i__3].r;
b[i__2].r = z__1.r, b[i__2].i = z__1.i;
}
}
}
} else {
i__1 = *n;
for (k = 1; k <= i__1; ++k) {
if (nounit) {
if (noconj) {
z_lmp_div(&z__1, &c_b1, &a[k + k * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
} else {
d_lmp_cnjg(&z__2, &a[k + k * a_dim1]);
z_lmp_div(&z__1, &c_b1, &z__2);
temp.r = z__1.r, temp.i = z__1.i;
}
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + k * b_dim1;
i__4 = i__ + k * b_dim1;
z__1.r = temp.r * b[i__4].r - temp.i * b[i__4].i,
z__1.i = temp.r * b[i__4].i + temp.i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
i__2 = *n;
for (j = k + 1; j <= i__2; ++j) {
i__3 = j + k * a_dim1;
if (a[i__3].r != 0. || a[i__3].i != 0.) {
if (noconj) {
i__3 = j + k * a_dim1;
temp.r = a[i__3].r, temp.i = a[i__3].i;
} else {
d_lmp_cnjg(&z__1, &a[j + k * a_dim1]);
temp.r = z__1.r, temp.i = z__1.i;
}
i__3 = *m;
for (i__ = 1; i__ <= i__3; ++i__) {
i__4 = i__ + j * b_dim1;
i__5 = i__ + j * b_dim1;
i__6 = i__ + k * b_dim1;
z__2.r = temp.r * b[i__6].r - temp.i * b[i__6].i,
z__2.i = temp.r * b[i__6].i + temp.i * b[i__6].r;
z__1.r = b[i__5].r - z__2.r, z__1.i = b[i__5].i - z__2.i;
b[i__4].r = z__1.r, b[i__4].i = z__1.i;
}
}
}
if (alpha->r != 1. || alpha->i != 0.) {
i__2 = *m;
for (i__ = 1; i__ <= i__2; ++i__) {
i__3 = i__ + k * b_dim1;
i__4 = i__ + k * b_dim1;
z__1.r = alpha->r * b[i__4].r - alpha->i * b[i__4].i,
z__1.i = alpha->r * b[i__4].i + alpha->i * b[i__4].r;
b[i__3].r = z__1.r, b[i__3].i = z__1.i;
}
}
}
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif