diff --git a/qpms/scatsystem.c b/qpms/scatsystem.c index 7a66196..341b838 100644 --- a/qpms/scatsystem.c +++ b/qpms/scatsystem.c @@ -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