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Scatsystem E-field evaluation WIP 

Former-commit-id: c4a3dd633f316cd3e480112d03e9f5c3de0dc64b
This commit is contained in:
Marek Nečada 2019-06-24 15:12:06 +03:00
parent b8b4497b12
commit a3f5f98736
3 changed files with 31 additions and 15 deletions
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2
qpms/qpms_error.h
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@ -55,7 +55,7 @@ qpms_dbgmsg_flags qpms_dbgmsg_enable(qpms_dbgmsg_flags types);
#define QPMS_UNTESTED {\ #define QPMS_UNTESTED {\
static bool already_bitched = false; \ static bool already_bitched = false; \
if (!already_bitched) {\ if (!already_bitched) {\
qpms_warn_at_flf(__FILE__,__LINE__,__func__,"Warning: untested function/feature!")\ qpms_warn_at_flf(__FILE__,__LINE__,__func__,"Warning: untested function/feature!");\
already_bitched = true;\ already_bitched = true;\
}\ }\
} }

32
qpms/scatsystem.c
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@ -15,6 +15,7 @@
#include "translations.h" #include "translations.h"
#include "tmatrices.h" #include "tmatrices.h"
#include <pthread.h> #include <pthread.h>
#include "kahansum.h"
#ifdef QPMS_SCATSYSTEM_USE_OWN_BLAS #ifdef QPMS_SCATSYSTEM_USE_OWN_BLAS
#include "qpmsblas.h" #include "qpmsblas.h"
@ -1460,23 +1461,34 @@ complex double *qpms_scatsys_build_modeproblem_matrix_irrep_packed_parallelR(
return target_packed; return target_packed;
} }
#if 0 #if 0 // must allow for complex kr in qpms_eval_uvswf
ccart3_t qpms_scatsys_eval_field(const qpms_scatsys_t *ss, ccart3_t qpms_scatsys_eval_E(const qpms_scatsys_t *ss,
const complex double *cvf, const cart3_t where, const complex double *cvf, const cart3_t where,
complex double omega, complex double refindex) { const complex double k) {
QPMS_UNTESTED; QPMS_UNTESTED;
ccart3_t result = {0,0,0}; ccart3_t res = {0,0,0};
ccart3_t result_kahanc = {0,0,0}; ccart3_t res_kc = {0,0,0}; // kahan sum compensation
for (qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) { for (qpms_ss_pi_t pi = 0; pi < ss->p_count; ++pi) {
const cart3_t particle_pos = ss->p[pi]; const qpms_vswf_set_spec_t *bspec = ss->tm[ss->p[pi].tmatrix_id]->spec;
const csph_t kr = sph_cscale(...); const cart3_t particle_pos = ss->p[pi].pos;
...; const complex double *particle_cv = cvf + ss->fecv_pstarts[pi];
const csph_t kr = sph_cscale(k, cart2sph(
cart3_substract(where, particle_pos)));
const csphvec_t E_sph = qpms_eval_uvswf(bspec, particle_cv, kr,
QPMS_HANKEL_PLUS);
const ccart3_t E_cart = csphvec2ccart_csph(E_sph, kr);
ckahanadd(&(res.x), &(res_kc.x), E_cart.x);
ckahanadd(&(res.y), &(res_kc.y), E_cart.y);
ckahanadd(&(res.z), &(res_kc.z), E_cart.z);
} }
return res;
} }
#endif
#if 0
ccart3_t qpms_scatsys_eval_field_irrep(const qpms_scatsys_t *ss, ccart3_t qpms_scatsys_eval_E_irrep(const qpms_scatsys_t *ss,
qpms_iri_t iri, const complex double *cvr, cart3_t where) { qpms_iri_t iri, const complex double *cvr, cart3_t where) {
TODO; TODO;
} }

12
qpms/scatsystem.h
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@ -319,27 +319,31 @@ complex double *qpms_orbit_irrep_basis(
/// The index of the irreducible representation of sym. /// The index of the irreducible representation of sym.
const qpms_iri_t iri); const qpms_iri_t iri);
/** Evaluates scattered fields (corresponding to a given excitation vector) /// Evaluates scattered fields (corresponding to a given excitation vector) at a given point.
* at a given point. /**
* By scattered field, one assumes a linear combination of positive-Hankel-type
* spherical waves.
* *
* \return Complex electric field at the point defined by \a where. * \return Complex electric field at the point defined by \a where.
*/ */
ccart3_t qpms_scatsys_eval_field(const qpms_scatsys_t *ss, ccart3_t qpms_scatsys_eval_E(const qpms_scatsys_t *ss,
const complex double *coeff_vector, ///< A full-length excitation vector. const complex double *coeff_vector, ///< A full-length excitation vector.
cart3_t where, ///< Evaluation point. cart3_t where, ///< Evaluation point.
complex double k ///< Wave number. complex double k ///< Wave number.
); );
#if 0
/** Evaluates partial scattered fields (corresponding to a given irrep-reduced excitation vector) /** Evaluates partial scattered fields (corresponding to a given irrep-reduced excitation vector)
* at a given point. * at a given point.
* *
* \return Complex electric field at the point defined by \a where. * \return Complex electric field at the point defined by \a where.
*/ */
ccart3_t qpms_scatsys_eval_field_irrep(const qpms_scatsys_t *ss, ccart3_t qpms_scatsys_eval_E_irrep(const qpms_scatsys_t *ss,
qpms_iri_t iri, ///< Irreducible representation qpms_iri_t iri, ///< Irreducible representation
const complex double *coeff_vector, ///< A reduced excitation vector, corresponding to \a iri. const complex double *coeff_vector, ///< A reduced excitation vector, corresponding to \a iri.
cart3_t where, ///< Evaluation point. cart3_t where, ///< Evaluation point.
complex double k ///< Wave number. complex double k ///< Wave number.
); );
#endif
#endif //QPMS_SCATSYSTEM_H #endif //QPMS_SCATSYSTEM_H