diff --git a/tests/sss2.c b/tests/sss2.c index 0e9b458..ac4b258 100644 --- a/tests/sss2.c +++ b/tests/sss2.c @@ -23,7 +23,7 @@ double uniform_random(double min, double max) { int main() { srand(666); -#if 0 +#if 1 qpms_vswf_set_spec_t *b1 = qpms_vswf_set_spec_from_lMax(1,QPMS_NORMALISATION_POWER_CS), *b2 = qpms_vswf_set_spec_from_lMax(2,QPMS_NORMALISATION_POWER_CS); @@ -55,7 +55,7 @@ int main() t2->m[i + i*b2->n] = 1; #endif - const cart3_t pp1 = {0, 0, 1}; + const cart3_t pp1 = {1, 2, 0}; qpms_tmatrix_t * tmlist[] = {t1, t2}; qpms_particle_tid_t plist[] = {{pp1, 0}}; @@ -75,6 +75,39 @@ int main() complex double *S_full = qpms_scatsys_build_translation_matrix_full( NULL, ss, k); + { + const size_t full_len = ss->fecv_size; + size_t fullvec_offset_dest = 0; + for (qpms_ss_pi_t pdest = 0; pdest < ss->p_count; pdest++) { + size_t fullvec_offset_src = 0; + const size_t bspecn_dest = ss->tm[ss->p[pdest].tmatrix_id]->spec->n; + for (qpms_ss_pi_t psrc = 0; psrc < ss->p_count; psrc++) { + const size_t bspecn_src = ss->tm[ss->p[psrc].tmatrix_id]->spec->n; + fprintf(stderr, "Translation matrix element %d<-%d; (%g %g %g)<-(%g %g %g):\n", + (int)pdest, (int)psrc, ss->p[pdest].pos.x, ss->p[pdest].pos.y, ss->p[pdest].pos.z, + ss->p[psrc].pos.x, ss->p[psrc].pos.y, ss->p[psrc].pos.z); + + for(size_t row = 0; row < bspecn_dest; ++row) { + for(size_t col = 0; col < bspecn_src; ++col) + fprintf(stderr, "%+2.3f%+2.3fj ", creal(S_full[full_len * (fullvec_offset_dest+row) + fullvec_offset_src+col]), + cimag(S_full[full_len * (fullvec_offset_dest+row) + fullvec_offset_src+col])); + fputc('\n', stderr); + fullvec_offset_src += bspecn_src; + } + fullvec_offset_dest += bspecn_dest; + } + } + } + { + fputs("\n\n", stderr); + const size_t full_len = ss->fecv_size; + for (size_t row = 0 ; row < full_len; ++row) { + for (size_t col = 0 ; col < full_len; ++col) + fprintf(stderr, "%+2.3f%+2.3fj ", creal(S_full[full_len * row + col]), cimag(S_full[full_len * row + col])); + fputc('\n', stderr); + } + } + complex double *S_packed[ss->sym->nirreps]; for (qpms_iri_t iri = 0; iri < ss->sym->nirreps; ++iri) S_packed[iri] = qpms_scatsys_irrep_pack_matrix(NULL,