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Scatsystem matrix packing unfinished 

Former-commit-id: 9f9806529550b3e109d284395ce53c61df648d7e
This commit is contained in:
Marek Nečada 2019-03-07 13:08:11 +02:00
parent 519e60a501
commit 52b69fb00b
1 changed files with 54 additions and 6 deletions
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60
qpms/scatsystem.c
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@ -783,10 +783,60 @@ complex double *qpms_orbit_irrep_basis(size_t *basis_size,
return target;
}
#if 0
complex double *qpms_scatsys_irrep_pack_matrix(complex double *target_packed,
const complex double *orig_full, const qpms_scatsys_t *ss,
qpms_iri_t iri);
qpms_iri_t iri){
const size_t packedlen = ss->saecv_sizes[iri];
const size_t full_len = ss->fecv_size;
if (target_packed == NULL)
target_packed = malloc(SQ(packedlen)*sizeof(complex double));
if (target_packed == NULL) abort();
memset(target_packed, 0, SQ(packedlen)*sizeof(complex double));
const complex double one = 1;
size_t fullvec_offsetR = 0;
for(qpms_ss_pi_t piR = 0; piR < ss->p_count; ++piR) { //Row loop
const qpms_ss_oti_t otiR = ss->p_orbitinfo[piR].t;
const qpms_ss_orbit_type_t *const otR = ss->orbit_types + otiR;
const qpms_ss_osn_t osnR = ss->p_orbitinfo[pi].osnR;
const qpms_ss_orbit_pi_t opiR = ss->p_orbitinfo[piR].p;
// This is where the particle's orbit starts in the "packed" vector:
const size_t packed_orbit_offsetR = ss->saecv_ot_offsets[iri*ss->orbit_type_count + otiR]
+ osnR * otR->irbase_sizes[iri];
// Orbit coeff vector's full size:
const size_t orbit_fullsizeR = otR->size * otR->bspecn;
const size_t particle_fullsizeR = otR->bspecn;
const size_t orbit_packedsizeR = otR->irbase_sizes[iri];
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *omR = otR->irbases + otR->irbase_offsets[iri];
size_t fullvec_offsetC = 0;
for(qpms_ss_pi_t piC = 0; piC < ss->p_count; ++piC) { //Column loop
const qpms_ss_oti_t otiC = ss->p_orbitinfo[piC].t;
const qpms_ss_orbit_type_t *const otC = ss->orbit_types + otiC;
const qpms_ss_osn_t osnC = ss->p_orbitinfo[pi].osnC;
const qpms_ss_orbit_pi_t opiC = ss->p_orbitinfo[piC].p;
// This is where the particle's orbit starts in the "packed" vector:
const size_t packed_orbit_offsetC = ss->saecv_ot_offsets[iri*ss->orbit_type_count + otiC]
+ osnC * otC->irbase_sizes[iri];
// Orbit coeff vector's full size:
const size_t orbit_fullsizeC = otC->size * otC->bspecn;
const size_t particle_fullsizeC = otC->bspecn;
const size_t orbit_packedsizeC = otC->irbase_sizes[iri];
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *omC = otC->irbases + otC->irbase_offsets[iri];
cblas_zgemv(CblasRowMajor, CblasNoTrans,
orbit_packedsize, particle_fullsize, &one, om + opi*particle_fullsize, orbit_fullsize,
orig_full+fullvec_offset, 1,
&one, target_packed+packed_orbit_offset, 1);
fullvec_offsetR += ot->bspecnR;
}
return target_packed;
#endif
/// Transforms a big "packed" matrix into the full basis.
/** TODO doc */
@ -809,7 +859,6 @@ complex double *qpms_scatsys_irrep_pack_vector(complex double *target_packed,
size_t fullvec_offset = 0;
for(qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) {
const size_t bspecn = ss->tm[ss->p[pi].tmatrix_id]->spec->n;
const qpms_ss_oti_t oti = ss->p_orbitinfo[pi].t;
const qpms_ss_orbit_type_t *const ot = ss->orbit_types + oti;
const qpms_ss_osn_t osn = ss->p_orbitinfo[pi].osn;
@ -829,7 +878,7 @@ complex double *qpms_scatsys_irrep_pack_vector(complex double *target_packed,
orig_full+fullvec_offset, 1,
&one, target_packed+packed_orbit_offset, 1);
fullvec_offset += bspecn;
fullvec_offset += ot->bspecn;
}
return target_packed;
}
@ -849,7 +898,6 @@ complex double *qpms_scatsys_irrep_unpack_vector(complex double *target_full,
size_t fullvec_offset = 0;
for(qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) {
const size_t bspecn = ss->tm[ss->p[pi].tmatrix_id]->spec->n;
const qpms_ss_oti_t oti = ss->p_orbitinfo[pi].t;
const qpms_ss_orbit_type_t *const ot = ss->orbit_types + oti;
const qpms_ss_osn_t osn = ss->p_orbitinfo[pi].osn;
@ -869,7 +917,7 @@ complex double *qpms_scatsys_irrep_unpack_vector(complex double *target_full,
orig_packed+packed_orbit_offset, 1,
&one, target_full+fullvec_offset, 1);
fullvec_offset += bspecn;
fullvec_offset += ot->bspecn;
}
return target_full;
}