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

65
lib/linalg/dtrtrs.cpp Normal file
View File

@ -0,0 +1,65 @@
#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static doublereal c_b12 = 1.;
int dtrtrs_(char *uplo, char *trans, char *diag, integer *n, integer *nrhs, doublereal *a,
integer *lda, doublereal *b, integer *ldb, integer *info, ftnlen uplo_len,
ftnlen trans_len, ftnlen diag_len)
{
integer a_dim1, a_offset, b_dim1, b_offset, i__1;
extern logical lsame_(char *, char *, ftnlen, ftnlen);
extern int dtrsm_(char *, char *, char *, char *, integer *, integer *, doublereal *,
doublereal *, integer *, doublereal *, integer *, ftnlen, ftnlen, ftnlen,
ftnlen),
xerbla_(char *, integer *, ftnlen);
logical nounit;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
b_dim1 = *ldb;
b_offset = 1 + b_dim1;
b -= b_offset;
*info = 0;
nounit = lsame_(diag, (char *)"N", (ftnlen)1, (ftnlen)1);
if (!lsame_(uplo, (char *)"U", (ftnlen)1, (ftnlen)1) && !lsame_(uplo, (char *)"L", (ftnlen)1, (ftnlen)1)) {
*info = -1;
} else if (!lsame_(trans, (char *)"N", (ftnlen)1, (ftnlen)1) &&
!lsame_(trans, (char *)"T", (ftnlen)1, (ftnlen)1) &&
!lsame_(trans, (char *)"C", (ftnlen)1, (ftnlen)1)) {
*info = -2;
} else if (!nounit && !lsame_(diag, (char *)"U", (ftnlen)1, (ftnlen)1)) {
*info = -3;
} else if (*n < 0) {
*info = -4;
} else if (*nrhs < 0) {
*info = -5;
} else if (*lda < max(1, *n)) {
*info = -7;
} else if (*ldb < max(1, *n)) {
*info = -9;
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"DTRTRS", &i__1, (ftnlen)6);
return 0;
}
if (*n == 0) {
return 0;
}
if (nounit) {
i__1 = *n;
for (*info = 1; *info <= i__1; ++(*info)) {
if (a[*info + *info * a_dim1] == 0.) {
return 0;
}
}
}
*info = 0;
dtrsm_((char *)"Left", uplo, trans, diag, n, nrhs, &c_b12, &a[a_offset], lda, &b[b_offset], ldb,
(ftnlen)4, (ftnlen)1, (ftnlen)1, (ftnlen)1);
return 0;
}
#ifdef __cplusplus
}
#endif