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Implement plane wave expansion on scatsys; untested. 

Former-commit-id: d54d13d1e1994a0b9cba0860e7095063b23ff276
This commit is contained in:
Marek Nečada 2019-07-15 14:39:08 +03:00
parent 9c15b8e4f2
commit ebefc07e9d
2 changed files with 36 additions and 1 deletions
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30
qpms/scatsystem.c
View File

@ -1461,6 +1461,33 @@ complex double *qpms_scatsys_build_modeproblem_matrix_irrep_packed_parallelR(
return target_packed;
}
complex double *qpms_scatsys_incident_field_vector_full(
complex double *target_full, const qpms_scatsys_t *ss,
qpms_incfield_t f, const void *args, bool add ) {
QPMS_UNTESTED;
if (!target_full) QPMS_CRASHING_CALLOC(target_full, ss->fecv_size,
sizeof(complex double));
for(qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) {
complex double *ptarget = target_full + ss->fecv_pstarts[pi];
const qpms_vswf_set_spec_t *bspec = qpms_ss_bspec_pi(ss, pi);
const cart3_t pos = ss->p[pi].pos;
QPMS_ENSURE_SUCCESS(f(ptarget, bspec, pos, args, add));
}
return target_full;
}
#if 0
complex double *qpms_scatsys_incident_field_vector_irrep_packed(
complex double *target_full, const qpms_scatsys_t *ss,
const qpms_iri_t iri, qpms_incfield_t f,
const void *args, bool add) {
TODO;
}
#endif
ccart3_t qpms_scatsys_eval_E(const qpms_scatsys_t *ss,
const complex double *cvf, const cart3_t where,
const complex double k) {
@ -1469,7 +1496,7 @@ ccart3_t qpms_scatsys_eval_E(const qpms_scatsys_t *ss,
ccart3_t res_kc = {0,0,0}; // kahan sum compensation
for (qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) {
const qpms_vswf_set_spec_t *bspec = ss->tm[ss->p[pi].tmatrix_id]->spec;
const qpms_vswf_set_spec_t *bspec = qpms_ss_bspec_pi(ss, pi);
const cart3_t particle_pos = ss->p[pi].pos;
const complex double *particle_cv = cvf + ss->fecv_pstarts[pi];
@ -1491,3 +1518,4 @@ ccart3_t qpms_scatsys_eval_E_irrep(const qpms_scatsys_t *ss,
TODO;
}
#endif

7
qpms/scatsystem.h
View File

@ -167,6 +167,11 @@ typedef struct qpms_scatsys_t {
struct qpms_trans_calculator *c;
} qpms_scatsys_t;
/// Convenience function to access pi'th particle's bspec.
static inline const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi) {
return ss->tm[ss->p[pi].tmatrix_id]->spec;
}
/// Creates a new scatsys by applying a symmetry group, copying particles if needed.
/** In fact, it copies everything except the vswf set specs, so keep them alive until scatsys is destroyed.
* The following fields must be filled:
@ -334,6 +339,7 @@ complex double *qpms_scatsys_incident_field_vector_full(
bool add ///< If true, add to target_full; rewrite target_full if false.
);
#if 0
/// Creates a (partial) incident field vector in the symmetry-adapted basis, given a function that evaluates the field expansions at points.
/** TODO detailed doc! */
complex double *qpms_scatsys_incident_field_vector_irrep_packed(
@ -346,6 +352,7 @@ complex double *qpms_scatsys_incident_field_vector_irrep_packed(
const void *args, ///< Pointer passed as the last argument to (*field_at_point)()
bool add ///< If true, add to target_full; rewrite target_full if false.
);
#endif
/// Evaluates scattered fields (corresponding to a given excitation vector) at a given point.
/**