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Particle position dump 

Former-commit-id: 75cfdfff52531da4d9e52a162774fe59d2595a1b
This commit is contained in:
Marek Nečada 2019-03-12 18:32:38 +02:00
parent 9a592b4682
commit a2e61ad67a
1 changed files with 11 additions and 0 deletions
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11
qpms/scatsystem.c
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@ -561,6 +561,10 @@ qpms_scatsys_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qp
current_orbit[0] = pi;
ot_current.size = 1;
ot_current.tmatrices[0] = ss->p[pi].tmatrix_id;
#ifdef DUMP_PARTICLE_POSITIONS
cart3_t pos = ss->p[pi].pos;
fprintf(stderr, "An orbit [%.4g, %.4g, %.4g] => ", pos.x, pos.y, pos.z);
#endif
}
for (qpms_gmi_t gmi = 0; gmi < sym->order; ++gmi) {
@ -583,6 +587,10 @@ qpms_scatsys_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qp
qpms_particle_tid_t newparticle = {newpoint, new_tmi};
ss->p[ss->p_count] = newparticle;
++(ss->p_count);
#ifdef DUMP_PARTICLE_POSITIONS
if(new_orbit)
fprintf(stderr, "[%.4g, %.4g, %.4g] ", newpoint.x, newpoint.y, newpoint.z);
#endif
}
ss->p_sym_map[gmi + pi * sym->order] = pj;
@ -600,6 +608,9 @@ qpms_scatsys_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qp
}
}
if (new_orbit) { // Now compare if the new orbit corresponds to some of the existing types.
#ifdef DUMP_PARTICLE_POSITIONS
fputc('\n', stderr);
#endif
qpms_ss_oti_t oti;
for(oti = 0; oti < ss->orbit_type_count; ++oti)
if (orbit_types_equal(&ot_current, &(ss->orbit_types[oti]))) break; // HIT, orbit type already exists