ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update linalg for ML-QUIP

Browse Source
This commit is contained in:
Axel Kohlmeyer
2024-11-09 04:04:52 -05:00
parent 324e795237
commit a1a2a54f72
69 changed files with 15699 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

88
lib/linalg/ztrti2.cpp Normal file
View File

@ -0,0 +1,88 @@
#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static doublecomplex c_b1 = {1., 0.};
static integer c__1 = 1;
int ztrti2_(char *uplo, char *diag, integer *n, doublecomplex *a, integer *lda, integer *info,
ftnlen uplo_len, ftnlen diag_len)
{
integer a_dim1, a_offset, i__1, i__2;
doublecomplex z__1;
void z_lmp_div(doublecomplex *, doublecomplex *, doublecomplex *);
integer j;
doublecomplex ajj;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int zscal_(integer *, doublecomplex *, doublecomplex *, integer *);
logical upper;
extern int ztrmv_(char *, char *, char *, integer *, doublecomplex *, integer *,
doublecomplex *, integer *, ftnlen, ftnlen, ftnlen),
xerbla_(char *, integer *, ftnlen);
logical nounit;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
*info = 0;
upper = lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1);
nounit = lsame_(diag, (char *)"N", (ftnlen)1, (ftnlen)1);
if (!upper && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
*info = -1;
} else if (!nounit && !lsame_(diag, (char *)"U", (ftnlen)1, (ftnlen)1)) {
*info = -2;
} else if (*n < 0) {
*info = -3;
} else if (*lda < max(1, *n)) {
*info = -5;
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"ZTRTI2", &i__1, (ftnlen)6);
return 0;
}
if (upper) {
i__1 = *n;
for (j = 1; j <= i__1; ++j) {
if (nounit) {
i__2 = j + j * a_dim1;
z_lmp_div(&z__1, &c_b1, &a[j + j * a_dim1]);
a[i__2].r = z__1.r, a[i__2].i = z__1.i;
i__2 = j + j * a_dim1;
z__1.r = -a[i__2].r, z__1.i = -a[i__2].i;
ajj.r = z__1.r, ajj.i = z__1.i;
} else {
z__1.r = -1., z__1.i = -0.;
ajj.r = z__1.r, ajj.i = z__1.i;
}
i__2 = j - 1;
ztrmv_((char *)"Upper", (char *)"No transpose", diag, &i__2, &a[a_offset], lda, &a[j * a_dim1 + 1],
&c__1, (ftnlen)5, (ftnlen)12, (ftnlen)1);
i__2 = j - 1;
zscal_(&i__2, &ajj, &a[j * a_dim1 + 1], &c__1);
}
} else {
for (j = *n; j >= 1; --j) {
if (nounit) {
i__1 = j + j * a_dim1;
z_lmp_div(&z__1, &c_b1, &a[j + j * a_dim1]);
a[i__1].r = z__1.r, a[i__1].i = z__1.i;
i__1 = j + j * a_dim1;
z__1.r = -a[i__1].r, z__1.i = -a[i__1].i;
ajj.r = z__1.r, ajj.i = z__1.i;
} else {
z__1.r = -1., z__1.i = -0.;
ajj.r = z__1.r, ajj.i = z__1.i;
}
if (j < *n) {
i__1 = *n - j;
ztrmv_((char *)"Lower", (char *)"No transpose", diag, &i__1, &a[j + 1 + (j + 1) * a_dim1], lda,
&a[j + 1 + j * a_dim1], &c__1, (ftnlen)5, (ftnlen)12, (ftnlen)1);
i__1 = *n - j;
zscal_(&i__1, &ajj, &a[j + 1 + j * a_dim1], &c__1);
}
}
}
return 0;
}
#ifdef __cplusplus
}
#endif