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ss build translation matrix: enable other Bessel funcs. 

Former-commit-id: 66d4993430322b7de00a408406b89972b7dd7c48
This commit is contained in:
Marek Nečada 2019-07-21 21:14:11 +03:00
parent 5aa855af19
commit 52039f5cbb
6 changed files with 38 additions and 13 deletions
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4
qpms/qpms_c.pyx
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@ -1571,12 +1571,12 @@ cdef class ScatteringSystem:
qpms_scatsys_build_modeproblem_matrix_irrep_packed(&target_view[0][0], self.s, iri, k)
return target
def translation_matrix_full(self, double k):
def translation_matrix_full(self, double k, J = QPMS_HANKEL_PLUS):
cdef size_t flen = self.s[0].fecv_size
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(flen,flen),dtype=complex, order='C')
cdef cdouble[:,::1] target_view = target
qpms_scatsys_build_translation_matrix_full(&target_view[0][0], self.s, k)
qpms_scatsys_build_translation_matrix_full_e(&target_view[0][0], self.s, k, J)
return target
def fullvec_psizes(self):

2
qpms/qpms_cdefs.pxd
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@ -367,6 +367,8 @@ cdef extern from "scatsystem.h":
const qpms_scatsys_t *ss, double k)
cdouble *qpms_scatsys_build_translation_matrix_full(cdouble *target,
const qpms_scatsys_t *ss, double k)
cdouble *qpms_scatsys_build_translation_matrix_full_e(cdouble *target,
const qpms_scatsys_t *ss, double k, qpms_bessel_t J)
cdouble *qpms_scatsys_build_modeproblem_matrix_irrep_packed(cdouble *target,
const qpms_scatsys_t *ss, qpms_iri_t iri, double k)
cdouble *qpms_scatsys_build_modeproblem_matrix_irrep_packed_orbitorderR(

22
qpms/scatsystem.c
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@ -964,6 +964,18 @@ complex double *qpms_scatsys_build_translation_matrix_full(
const qpms_scatsys_t *ss,
double k ///< Wave number to use in the translation matrix.
)
{
return qpms_scatsys_build_translation_matrix_full_e(
target, ss, k, QPMS_HANKEL_PLUS);
}
complex double *qpms_scatsys_build_translation_matrix_full_e(
/// Target memory with capacity for ss->fecv_size**2 elements. If NULL, new will be allocated.
complex double *target,
const qpms_scatsys_t *ss,
double k, ///< Wave number to use in the translation matrix.
qpms_bessel_t J ///< Bessel function type.
)
{
const size_t full_len = ss->fecv_size;
if(!target)
@ -982,7 +994,7 @@ complex double *qpms_scatsys_build_translation_matrix_full(
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
target + fullvec_offsetR*full_len + fullvec_offsetC,
bspecR, full_len, bspecC, 1,
k, posR, posC));
k, posR, posC, J));
}
fullvec_offsetC += bspecC->n;
}
@ -1025,7 +1037,7 @@ complex double *qpms_scatsys_build_modeproblem_matrix_full(
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
tmp, // tmp is S(piR<-piC)
bspecR, bspecC->n, bspecC, 1,
k, posR, posC));
k, posR, posC, QPMS_HANKEL_PLUS));
cblas_zgemm(CblasRowMajor, CblasNoTrans, CblasNoTrans,
bspecR->n /*m*/, bspecC->n /*n*/, bspecR->n /*k*/,
&one/*alpha*/, tmmR/*a*/, bspecR->n/*lda*/,
@ -1117,7 +1129,7 @@ complex double *qpms_scatsys_build_modeproblem_matrix_irrep_packed(
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
Sblock, // Sblock is S(piR->piC)
bspecR, bspecC->n, bspecC, 1,
k, posR, posC));
k, posR, posC, QPMS_HANKEL_PLUS));
cblas_zgemm(CblasRowMajor, CblasNoTrans, CblasNoTrans,
bspecR->n /*m*/, bspecC->n /*n*/, bspecR->n /*k*/,
@ -1236,7 +1248,7 @@ complex double *qpms_scatsys_build_modeproblem_matrix_irrep_packed_orbitorderR(
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
Sblock, // Sblock is S(piR->piC)
bspecR, bspecC->n, bspecC, 1,
k, posR, posC));
k, posR, posC, QPMS_HANKEL_PLUS));
cblas_zgemm(CblasRowMajor, CblasNoTrans, CblasNoTrans,
bspecR->n /*m*/, bspecC->n /*n*/, bspecR->n /*k*/,
@ -1368,7 +1380,7 @@ static void *qpms_scatsys_build_modeproblem_matrix_irrep_packed_parallelR_thread
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
Sblock, // Sblock is S(piR->piC)
bspecR, bspecC->n, bspecC, 1,
a->k, posR, posC));
a->k, posR, posC, QPMS_HANKEL_PLUS));
SERIAL_ZGEMM(CblasRowMajor, CblasNoTrans, CblasNoTrans,
bspecR->n /*m*/, bspecC->n /*n*/, bspecR->n /*k*/,

12
qpms/scatsystem.h
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@ -234,6 +234,18 @@ complex double *qpms_scatsys_build_translation_matrix_full(
const qpms_scatsys_t *ss,
double k ///< Wave number to use in the translation matrix.
);
/// As qpms_scatsys_build_translation_full() but with choice of Bessel function type.
/** Might be useful for evaluation of cross sections and testing.
*/
complex double *qpms_scatsys_build_translation_matrix_full_e(
/// Target memory with capacity for ss->fecv_size**2 elements. If NULL, new will be allocated.
complex double *target,
const qpms_scatsys_t *ss,
double k, ///< Wave number to use in the translation matrix.
qpms_bessel_t J
);
complex double *qpms_scatsys_build_modeproblem_matrix_full(
/// Target memory with capacity for ss->fecv_size**2 elements. If NULL, new will be allocated.
complex double *target,

6
qpms/translations.c
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@ -1119,8 +1119,6 @@ qpms_errno_t qpms_trans_calculator_get_trans_array(const qpms_trans_calculator *
return retval;
}
/// Version with \a k and cartesian particle positions
/// and with automatic \a kdlj = false and \a J = QPMS_HANKEL_PLUS.
qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
const qpms_trans_calculator *c,
complex double *target,
@ -1128,7 +1126,7 @@ qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
const qpms_vswf_set_spec_t *destspec, size_t deststride,
/// Must be srcspec->lMax <= c-> lMax && srcspec->norm == c->norm.
const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
double k, cart3_t destpos, cart3_t srcpos
double k, cart3_t destpos, cart3_t srcpos, qpms_bessel_t J
/// Workspace has to be at least 2 * c->neleme**2 long
)
{
@ -1136,7 +1134,7 @@ qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
kdlj.r *= k;
return qpms_trans_calculator_get_trans_array(c, target,
destspec, deststride, srcspec, srcstride, kdlj,
false, QPMS_HANKEL_PLUS);
false, J);
}
#ifdef LATTICESUMS31

5
qpms/translations.h
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@ -155,7 +155,7 @@ qpms_errno_t qpms_trans_calculator_get_trans_array(const qpms_trans_calculator *
sph_t kdlj, bool r_ge_d, qpms_bessel_t J);
/// Version with \a k and cartesian particle positions
/// and with automatic \a kdlj = false and \a J = QPMS_HANKEL_PLUS.
/// and with automatic \a r_ge_d = `false`.
qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
const qpms_trans_calculator *c,
complex double *target,
@ -163,7 +163,8 @@ qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
const qpms_vswf_set_spec_t *destspec, size_t deststride,
/// Must be srcspec->lMax <= c-> lMax && srcspec->norm == c->norm.
const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
double k, cart3_t destpos, cart3_t srcpos
double k, cart3_t destpos, cart3_t srcpos,
qpms_bessel_t J
/// Workspace has to be at least 2 * c->neleme**2 long
);