QPMS
/
qpms
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

sss3 dump packed matrices 

Former-commit-id: 5b2f8a4ebe9829d63546ae91e24c25ec5966fe72
This commit is contained in:
Marek Nečada 2019-03-13 11:24:09 +02:00
parent 6f219b2c84
commit aee4d2db2a
1 changed files with 10 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
tests/sss3.c
View File

@ -155,9 +155,18 @@ int main()
} }
complex double *S_packed[ss->sym->nirreps]; complex double *S_packed[ss->sym->nirreps];
for (qpms_iri_t iri = 0; iri < ss->sym->nirreps; ++iri) for (qpms_iri_t iri = 0; iri < ss->sym->nirreps; ++iri) {
S_packed[iri] = qpms_scatsys_irrep_pack_matrix(NULL, S_packed[iri] = qpms_scatsys_irrep_pack_matrix(NULL,
S_full, ss, iri); S_full, ss, iri);
fprintf(stderr, "--- Packed matrix for irrep %d (%s):\n", (int) iri, ss->sym->irreps[iri].name);
for (size_t row = 0; row < ss->saecv_sizes[iri]; ++row) {
for (size_t col = 0; col < ss->saecv_sizes[iri]; ++col) {
complex double elem = S_packed[iri][row * ss->saecv_sizes[iri] + col];
fprintf(stderr, "%+.3f+%.3fj ", creal(elem), cimag(elem));
}
fputc('\n', stderr);
}
}
complex double *S_recfull = qpms_scatsys_irrep_unpack_matrix(NULL, complex double *S_recfull = qpms_scatsys_irrep_unpack_matrix(NULL,
S_packed[0], ss, 0, false); S_packed[0], ss, 0, false);