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

scatsystem test in C 

Former-commit-id: 161e215244d7d8c37567fe271063908fc1638471
This commit is contained in:
Marek Nečada 2019-03-10 06:28:32 +00:00
parent a4a3751cab
commit 341b28f7a8
1 changed files with 73 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

73
tests/ss_syms_packs.c Normal file
View File

@ -0,0 +1,73 @@
// c99 -g -I.. ss_syms_packs.c staticgroups.c ../qpms/scatsystem.c ../qpms/vswf.c ../qpms/error.c ../qpms/translations.c ../qpms/symmetries.c ../qpms/legendre.c ../qpms/gaunt.c ../qpms/wigner.c -lm -lgsl -lblas -llapacke
typedef int qpms_gmi_t;// There is something wrong in the includes, apparently.
#include <qpms/qpms_types.h>
#include <qpms/scatsystem.h>
#include <stdlib.h>
#include <qpms/vswf.h>
#include "staticgroups.h"
const qpms_finite_group_t *D3h = &QPMS_FINITE_GROUP_D3h;
double uniform_random(double min, double max) {
double random_value = min + (max-min)*(double)rand()/RAND_MAX;
return random_value;
}
int main()
{
srand(666);
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);
qpms_tmatrix_t *t1 = qpms_tmatrix_init(b1);
qpms_tmatrix_t *t2 = qpms_tmatrix_init(b2);
// Random diagonal T-matrices
for(size_t i = 0; i < b1->n; ++i)
t1->m[i + i*b1->n] = uniform_random(-1,1) + I*uniform_random(-1,1);
for(size_t i = 0; i < b2->n; ++i)
t2->m[i + i*b2->n] = uniform_random(-1,1) + I*uniform_random(-1,1);
const cart3_t pp1 = {1, 2, 0}, pp2 = {1, 2, 3}, pp3 = {0.1, 2, 0};
qpms_tmatrix_t * tmlist[] = {t1, t2};
qpms_particle_tid_t plist[] = {{pp1, 0}, {pp2, 0}, {pp3, 1}};
qpms_scatsys_t protoss;
protoss.tm = tmlist;
protoss.tm_count=2;
protoss.p = plist;
protoss.p_count=3;
qpms_scatsys_t *ss = qpms_scatsys_apply_symmetry(&protoss, D3h);
const double k = 1.7;
complex double *S_full = qpms_scatsys_build_translation_matrix_full(
NULL, ss, k);
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,
S_full, ss, iri);
complex double *S_recfull = qpms_scatsys_irrep_unpack_matrix(NULL,
S_packed[0], ss, 0, false);
for (qpms_iri_t iri = 1; iri < ss->sym->nirreps; ++iri)
qpms_scatsys_irrep_unpack_matrix(S_recfull, S_packed[iri],
ss, iri, true);
double maxerr = 0;
for (size_t i = 0; i < ss->fecv_size; ++i) {
double err = cabs(S_full[i] - S_recfull[i]);
maxerr = (err > maxerr) ? err : maxerr;
}
for (qpms_iri_t iri = 0; iri < ss->sym->nirreps; ++iri) free(S_packed[iri]);
free(S_full);
qpms_scatsys_free(ss);
qpms_tmatrix_free(t1);
qpms_tmatrix_free(t2);
qpms_vswf_set_spec_free(b1);
qpms_vswf_set_spec_free(b2);
return 0;
}