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

Dump orbit projection matrices in sss3.c 

Former-commit-id: 57814624995124945704e8a1bfc52273845633af
This commit is contained in:
Marek Nečada 2019-03-13 08:57:23 +00:00
parent 8cba539684
commit 6f219b2c84
1 changed files with 24 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

24
tests/sss3.c
View File

@ -93,6 +93,30 @@ int main()
(int)ss->p_count, (int)ss->tm_count, (int)ss->sym->nirreps,
(int)ss->orbit_type_count);
fputs("Orbit projection matrices:\n", stderr);
for (qpms_ss_oti_t oti = 0; oti < ss->orbit_type_count; ++oti) {
fprintf(stderr, "Orbit type %d:\n", (int)oti);
const qpms_ss_orbit_type_t *ot = &(ss->orbit_types[oti]);
size_t row = 0;
for (qpms_iri_t iri = 0; iri < ss->sym->nirreps; ++iri) {
assert(row*ot->size*ot->bspecn == ot->irbase_offsets[iri]);
fprintf(stderr, "---------- IR %d (%s) -------------\n", (int)iri, ss->sym->irreps[iri].name);
for (size_t irbi = 0; irbi < ot->irbase_sizes[iri]; ++irbi) {
for(qpms_ss_orbit_pi_t opi = 0; opi < ot->size; ++opi){
fputs("| ", stderr);
for(size_t i = 0; i < ot->bspecn; ++i) {
const complex double elem = ot->irbases[row * ot->size * ot->bspecn
+ opi * ot->bspecn + i];
fprintf(stderr, "%+.3f%+.3fj ", creal(elem), cimag(elem));
}
}
fputs("|\n", stderr);
++row;
}
}
fputs("------------------------\n\n",stderr);
}
const double k = 1.7;
complex double *S_full = qpms_scatsys_build_translation_matrix_full(