777 lines
35 KiB
Cython
777 lines
35 KiB
Cython
cimport numpy as np
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ctypedef double complex cdouble
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from libc.stdint cimport *
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cdef extern from "gsl/gsl_errno.h":
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ctypedef void gsl_error_handler_t (const char *reason, const char *file,
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int line, int gsl_errno)
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gsl_error_handler_t *gsl_set_error_handler(gsl_error_handler_t *new_handler)
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gsl_error_handler_t *gsl_set_error_handler_off();
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cdef extern from "gsl/gsl_const_mksa.h":
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const double GSL_CONST_MKSA_SPEED_OF_LIGHT
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cdef extern from "qpms_types.h":
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cdef struct cart3_t:
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double x
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double y
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double z
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cdef struct ccart3_t:
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cdouble x
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cdouble y
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cdouble z
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cdef struct cart2_t:
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double x
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double y
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cdef struct sph_t:
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double r
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double theta
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double phi
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cdef struct csph_t:
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cdouble r
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double theta
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double phi
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cdef struct csphvec_t:
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cdouble rc
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cdouble thetac
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cdouble phic
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cdef struct pol_t:
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double r
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double phi
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cdef union anycoord_point_t:
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double z
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cart3_t cart3
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cart2_t cart2
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pol_t pol
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ctypedef enum qpms_normalisation_t:
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QPMS_NORMALISATION_UNDEF
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QPMS_NORMALISATION_INVERSE
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QPMS_NORMALISATION_REVERSE_AZIMUTHAL_PHASE
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QPMS_NORMALISATION_SPHARM_REAL
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QPMS_NORMALISATION_CSPHASE
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QPMS_NORMALISATION_M_I
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QPMS_NORMALISATION_M_MINUS
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QPMS_NORMALISATION_N_I
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QPMS_NORMALISATION_N_MINUS
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QPMS_NORMALISATION_L_I
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QPMS_NORMALISATION_L_MINUS
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QPMS_NORMALISATION_NORM_BITSTART
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QPMS_NORMALISATION_NORM_POWER
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QPMS_NORMALISATION_NORM_SPHARM
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QPMS_NORMALISATION_NORM_NONE
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QPMS_NORMALISATION_NORM_BITS
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QPMS_NORMALISATION_CONVENTION_KRISTENSSON_REAL
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QPMS_NORMALISATION_CONVENTION_KRISTENSSON
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QPMS_NORMALISATION_CONVENTION_SCUFF
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QPMS_NORMALISATION_DEFAULT
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ctypedef enum qpms_bessel_t:
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QPMS_BESSEL_REGULAR
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QPMS_BESSEL_SINGULAR
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QPMS_HANKEL_PLUS
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QPMS_HANKEL_MINUS
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QPMS_BESSEL_UNDEF
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ctypedef int qpms_lm_t
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ctypedef int qpms_l_t
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ctypedef int qpms_m_t
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ctypedef size_t qpms_y_t
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struct qpms_quat_t:
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cdouble a
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cdouble b
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struct qpms_quat4d_t:
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double c1
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double ci
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double cj
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double ck
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struct qpms_irot3_t:
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qpms_quat_t rot
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short det
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ctypedef np.ulonglong_t qpms_uvswfi_t
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struct qpms_vswf_set_spec_t:
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size_t n
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qpms_uvswfi_t *ilist
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qpms_l_t lMax
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qpms_l_t lMax_M
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qpms_l_t lMax_N
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qpms_l_t lMax_L
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size_t capacity
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qpms_normalisation_t norm
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ctypedef enum qpms_errno_t:
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QPMS_SUCCESS
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QPMS_ERROR
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# more if needed
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ctypedef enum qpms_vswf_type_t:
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QPMS_VSWF_ELECTRIC
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QPMS_VSWF_MAGNETIC
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QPMS_VSWF_LONGITUDINAL
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ctypedef int32_t qpms_ss_tmgi_t
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ctypedef int32_t qpms_ss_tmi_t
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ctypedef int32_t qpms_ss_pi_t
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ctypedef int qpms_gmi_t
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ctypedef int qpms_iri_t
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qpms_iri_t QPMS_NO_IRREP
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ctypedef const char * qpms_permutation_t
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struct qpms_tmatrix_t:
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qpms_vswf_set_spec_t *spec
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cdouble *m
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bint owns_m # FIXME in fact bool
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ctypedef enum qpms_pointgroup_class:
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QPMS_PGS_CN
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QPMS_PGS_S2N
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QPMS_PGS_CNH
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QPMS_PGS_CNV
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QPMS_PGS_DN
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QPMS_PGS_DND
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QPMS_PGS_DNH
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QPMS_PGS_T
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QPMS_PGS_TD
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QPMS_PGS_TH
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QPMS_PGS_O
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QPMS_PGS_OH
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QPMS_PGS_I
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QPMS_PGS_IH
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QPMS_PGS_CINF
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QPMS_PGS_CINFH
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QPMS_PGS_CINFV
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QPMS_PGS_DINF
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QPMS_PGS_DINFH
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QPMS_PGS_SO3
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QPMS_PGS_O3
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struct qpms_pointgroup_t:
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qpms_pointgroup_class c
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qpms_gmi_t n
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qpms_irot3_t orientation
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struct qpms_epsmu_t:
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cdouble eps
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cdouble mu
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ctypedef enum qpms_coord_system_t:
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pass
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# maybe more if needed
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cdef extern from "qpms_error.h":
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ctypedef enum qpms_dbgmsg_flags:
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QPMS_DBGMSG_MISC
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QPMS_DBGMSG_THREADS
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QPMS_DBGMSG_INTEGRATION
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qpms_dbgmsg_flags qpms_dbgmsg_enable(qpms_dbgmsg_flags types)
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qpms_dbgmsg_flags qpms_dbgmsg_disable(qpms_dbgmsg_flags types)
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cdef extern from "tolerances.h":
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struct qpms_tolerance_spec_t:
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pass # TODO
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const qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT
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# This is due to the fact that cython apparently cannot nest the unnamed struct/unions in an obvious way
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ctypedef union qpms_incfield_planewave_params_k:
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ccart3_t cart
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csph_t sph
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ctypedef union qpms_incfield_planewave_params_E:
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ccart3_t cart
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csphvec_t sph
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cdef extern from "vswf.h":
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bint qpms_vswf_set_spec_isidentical(const qpms_vswf_set_spec_t *a, const qpms_vswf_set_spec_t *b)
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ctypedef qpms_errno_t (*qpms_incfield_t)(cdouble *target, const qpms_vswf_set_spec_t *bspec,
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const cart3_t evalpoint, const void *args, bint add)
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ctypedef struct qpms_incfield_planewave_params_t:
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bint use_cartesian
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qpms_incfield_planewave_params_k k
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qpms_incfield_planewave_params_E E
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qpms_errno_t qpms_incfield_planewave(cdouble *target, const qpms_vswf_set_spec_t *bspec,
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const cart3_t evalpoint, const void *args, bint add)
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csphvec_t qpms_vswf_single_el_csph(qpms_m_t m, qpms_l_t n, csph_t kdlj, qpms_bessel_t btyp, qpms_normalisation_t norm)
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csphvec_t qpms_vswf_single_mg_csph(qpms_m_t m, qpms_l_t n, csph_t kdlj, qpms_bessel_t btyp, qpms_normalisation_t norm)
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cdef extern from "indexing.h":
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qpms_y_t qpms_lMax2nelem(qpms_l_t lMax)
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qpms_uvswfi_t qpms_tmn2uvswfi(qpms_vswf_type_t t, qpms_m_t m, qpms_l_t n)
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qpms_errno_t qpms_uvswfi2tmn(qpms_uvswfi_t u, qpms_vswf_type_t* t, qpms_m_t* m, qpms_l_t* n)
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qpms_m_t qpms_uvswfi2m(qpms_uvswfi_t u)
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# maybe more if needed
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# Point generators from lattices.h
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cdef extern from "lattices.h":
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ctypedef enum PGenPointFlags:
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pass
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struct PGenReturnData:
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pass
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struct PGenZReturnData:
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pass
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struct PGenPolReturnData:
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pass
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struct PGenSphReturnData:
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pass
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struct PGenCart2ReturnData:
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pass
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struct PGenCart3ReturnData:
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pass
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struct PGenClassInfo: # maybe important
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pass
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struct PGen: # probably important
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PGenClassInfo* c
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void *stateData
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void PGen_destroy(PGen *g)
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int l2d_reciprocalBasis2pi(cart2_t b1, cart2_t b2, cart2_t *rb1, cart2_t *rb2);
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double l2d_unitcell_area(cart2_t b1, cart2_t b2)
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void l2d_reduceBasis(cart2_t in1, cart2_t in2, cart2_t *out1, cart2_t *out2)
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const double BASIS_RTOL
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size_t qpms_emptylattice2_modes_maxfreq(double **target_freqs, cart2_t b1_rec, cart2_t b2_rec,
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double rtol, cart2_t k, double wave_speed, double maxomega)
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void qpms_emptylattice2_modes_nearest(double *target_freqs, cart2_t b1_rec, cart2_t b2_rec,
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double rtol, cart2_t k, double wave_speed, double omega)
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# now the individual PGen implementations:
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# FIXME Is bint always guaranteed to be equivalent to _Bool? (I dont't think so.)
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PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double rtol, cart2_t offset,
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double minR, bint inc_minR, double maxR, bint inc_maxR)
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ctypedef enum PGen_1D_incrementDirection:
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PGEN_1D_INC_FROM_ORIGIN
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PGEN_1D_INC_TOWARDS_ORIGIN
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PGen PGen_1D_new_minMaxR(double period, double offset, double minR, bint inc_minR,
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double maxR, bint inc_maxR, PGen_1D_incrementDirection incdir)
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int qpms_reduce_lattice_basis(double *b, size_t bsize, size_t ndim, double delta)
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ctypedef enum LatticeDimensionality:
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LAT1D
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LAT2D
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LAT3D
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SPACE1D
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SPACE2D
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SPACE3D
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LAT_1D_IN_3D
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LAT_2D_IN_3D
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LAT_3D_IN_3D
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LAT_ZONLY
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LAT_XYONLY
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LAT_1D_IN_3D_ZONLY
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LAT_2D_IN_3D_XYONLY
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cdef extern from "vectors.h":
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cart2_t cart2_add(const cart2_t a, const cart2_t b)
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cart2_t cart2_substract(const cart2_t a, const cart2_t b)
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cart2_t cart2_scale(const double c, const cart2_t v)
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double cart2_dot(const cart2_t a, const cart2_t b)
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double cart2_normsq(const cart2_t a)
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double cart2norm(const cart2_t v)
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pol_t cart2pol(const cart2_t cart)
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sph_t pol2sph_equator(const pol_t pol)
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sph_t cart22sph(const cart2_t cart)
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sph_t cart12sph_zaxis(double z)
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cart3_t cart12cart3z(double z)
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cart3_t cart22cart3xy(const cart2_t a)
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cart2_t cart3xy2cart2(const cart3_t a)
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double cart3_dot(const cart3_t a, const cart3_t b)
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cart3_t cart3_vectorprod(const cart3_t a, const cart3_t b)
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double cart3_tripleprod(const cart3_t a, const cart3_t b, const cart3_t c)
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double cart3_normsq(const cart3_t a)
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double cart3norm(const cart3_t v)
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sph_t cart2sph(const cart3_t cart)
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cart3_t sph2cart(const sph_t sph)
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cart2_t pol2cart(const pol_t pol)
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cart3_t pol2cart3_equator(const pol_t pol)
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cart3_t cart3_add(const cart3_t a, const cart3_t b)
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cart3_t cart3_substract(const cart3_t a, const cart3_t b)
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cart3_t cart3_scale(const double c, const cart3_t v)
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cart3_t cart3_divscale( const cart3_t v, const double c)
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double cart3_dist(const cart3_t a, const cart3_t b)
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bint cart3_isclose(const cart3_t a, const cart3_t b, double rtol, double atol)
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ccart3_t ccart3_scale(const cdouble c, const ccart3_t v)
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ccart3_t ccart3_add(const ccart3_t a, const ccart3_t b)
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ccart3_t ccart3_substract(const ccart3_t a, const ccart3_t b)
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cdouble ccart3_dotnc(const ccart3_t a, const ccart3_t b)
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ccart3_t cart32ccart3(cart3_t c)
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csphvec_t csphvec_add(const csphvec_t a, const csphvec_t b)
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csphvec_t csphvec_substract(const csphvec_t a, const csphvec_t b)
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csphvec_t csphvec_scale(cdouble c, const csphvec_t v)
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cdouble csphvec_dotnc(const csphvec_t a, const csphvec_t b)
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sph_t sph_scale(double c, const sph_t s)
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csph_t sph_cscale(cdouble c, const sph_t s)
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ccart3_t csphvec2ccart(const csphvec_t sphvec, const sph_t at)
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ccart3_t csphvec2ccart_csph(const csphvec_t sphvec, const csph_t at)
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csphvec_t ccart2csphvec(const ccart3_t cartvec, const sph_t at)
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csph_t sph2csph(sph_t s)
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sph_t csph2sph(csph_t s)
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csph_t ccart2csph(const ccart3_t cart)
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csph_t cart2csph(const cart3_t cart)
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ccart3_t csph2ccart(const csph_t sph)
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void ccart3_kahaninit(ccart3_t *sum, ccart3_t *compensation)
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void csphvec_kahaninit(csphvec_t *sum, csphvec_t *compensation)
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void ccart3_kahanadd(ccart3_t *sum, ccart3_t *compensation, const ccart3_t input)
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void csphvec_kahanadd(csphvec_t *sum, csphvec_t *compensation, const csphvec_t input)
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double csphvec_norm(const csphvec_t a)
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double csphvec_reldiff_abstol(const csphvec_t a, const csphvec_t b, double tolerance)
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double csphvec_reldiff(const csphvec_t a, const csphvec_t b)
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sph_t anycoord2sph(anycoord_point_t p, qpms_coord_system_t t)
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cart3_t anycoord2cart3(anycoord_point_t p, qpms_coord_system_t t)
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double anycoord_norm(anycoord_point_t p, qpms_coord_system_t t)
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pol_t anycoord2pol(anycoord_point_t p, qpms_coord_system_t t)
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cart2_t anycoord2cart2(anycoord_point_t p, qpms_coord_system_t t)
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double anycoord2cart1(anycoord_point_t p, qpms_coord_system_t t)
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void qpms_array_coord_transform(void *dest, qpms_coord_system_t tdest,
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const void *src, qpms_coord_system_t tsrc, size_t nmemb)
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void anycoord_arr2something(void *dest, qpms_coord_system_t tdest,
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const void *src, qpms_coord_system_t tsrc, size_t nmemb)
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void cart3_to_double_array(double *a, cart3_t b)
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cart3_t cart3_from_double_array(const double *a)
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void cart2_to_double_array(double *a, cart2_t b)
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cart2_t cart2_from_double_array(const double *a)
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const cart2_t CART2_ZERO
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cdef extern from "quaternions.h":
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qpms_quat_t qpms_quat_2c_from_4d(qpms_quat4d_t q)
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qpms_quat4d_t qpms_quat_4d_from_2c(qpms_quat_t q)
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qpms_quat_t qpms_quat_mult(qpms_quat_t p, qpms_quat_t q)
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qpms_quat_t qpms_quat_add(qpms_quat_t p, qpms_quat_t q)
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qpms_quat_t qpms_quat_rscale(double s, qpms_quat_t q)
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qpms_quat_t qpms_quat_conj(qpms_quat_t q)
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double qpms_quat_norm(qpms_quat_t q)
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double qpms_quat_imnorm(qpms_quat_t q)
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qpms_quat_t qpms_quat_normalise(qpms_quat_t q)
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qpms_quat_t qpms_quat_log(qpms_quat_t q)
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qpms_quat_t qpms_quat_exp(qpms_quat_t q)
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qpms_quat_t qpms_quat_pow(qpms_quat_t q, double exponent)
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cdouble qpms_wignerD_elem(qpms_quat_t q, qpms_l_t l,
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qpms_m_t mp, qpms_m_t m)
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qpms_irot3_t qpms_irot3_mult(qpms_irot3_t p, qpms_irot3_t q)
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qpms_irot3_t qpms_irot3_pow(qpms_irot3_t p, int n)
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qpms_quat_t qpms_quat_from_rotvector(cart3_t v)
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cdef extern from "groups.h":
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struct qpms_finite_group_irrep_t:
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int dim
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char *name
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cdouble *m
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struct qpms_finite_group_t:
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char *name
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qpms_gmi_t order
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qpms_gmi_t idi
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qpms_gmi_t *mt
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qpms_gmi_t *invi
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qpms_gmi_t *gens
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int ngens
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qpms_permutation_t *permrep
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char **elemlabels
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int permrep_nelem
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qpms_irot3_t *rep3d
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qpms_iri_t nirreps
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qpms_finite_group_irrep_t *irreps
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qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL
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qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL_G
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cdef extern from "symmetries.h":
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cdouble *qpms_zflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
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cdouble *qpms_yflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
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cdouble *qpms_xflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
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cdouble *qpms_zrot_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, double phi)
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cdouble *qpms_zrot_rational_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, int N, int w)
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cdouble *qpms_irot3_uvswfi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, qpms_irot3_t transf)
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size_t qpms_zero_roundoff_clean(double *arr, size_t nmemb, double atol)
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size_t qpms_czero_roundoff_clean(cdouble *arr, size_t nmemb, double atol)
|
|
|
|
#cdef extern from "numpy/arrayobject.h":
|
|
# cdef enum NPY_TYPES:
|
|
# NPY_DOUBLE
|
|
# NPY_CDOUBLE # complex double
|
|
# NPY_LONG # int
|
|
# ctypedef int npy_intp
|
|
|
|
|
|
cdef extern from "translations.h":
|
|
struct qpms_trans_calculator:
|
|
int lMax
|
|
size_t nelem
|
|
cdouble** A_multipliers
|
|
cdouble** B_multipliers
|
|
enum qpms_normalization_t:
|
|
pass
|
|
qpms_trans_calculator* qpms_trans_calculator_init(int lMax, int nt) # should be qpms_normalization_t
|
|
void qpms_trans_calculator_free(qpms_trans_calculator* c)
|
|
cdouble qpms_trans_calculator_get_A_ext(const qpms_trans_calculator* c,
|
|
int m, int n, int mu, int nu, cdouble kdlj_r, double kdlj_th, double kdlj_phi,
|
|
int r_ge_d, int J) nogil
|
|
cdouble qpms_trans_calculator_get_B_ext(const qpms_trans_calculator* c,
|
|
int m, int n, int mu, int nu, cdouble kdlj_r, double kdlj_th, double kdlj_phi,
|
|
int r_ge_d, int J) nogil
|
|
int qpms_trans_calculator_get_AB_p_ext(const qpms_trans_calculator* c,
|
|
cdouble *Adest, cdouble *Bdest,
|
|
int m, int n, int mu, int nu, cdouble kdlj_r, double kdlj_th, double kdlj_phi,
|
|
int r_ge_d, int J) nogil
|
|
int qpms_trans_calculator_get_AB_arrays_ext(const qpms_trans_calculator *c,
|
|
cdouble *Adest, cdouble *Bdest,
|
|
size_t deststride, size_t srcstride,
|
|
cdouble kdlj_r, double kdlj_theta, double kdlj_phi,
|
|
int r_ge_d, int J) nogil
|
|
int qpms_cython_trans_calculator_get_AB_arrays_loop(qpms_trans_calculator *c,
|
|
int J, int resnd,
|
|
int daxis, int saxis,
|
|
char *A_data, np.npy_intp *A_shape, np.npy_intp *A_strides,
|
|
char *B_data, np.npy_intp *B_shape, np.npy_intp *B_strides,
|
|
char *r_data, np.npy_intp *r_shape, np.npy_intp *r_strides,
|
|
char *theta_data, np.npy_intp *theta_shape, np.npy_intp *theta_strides,
|
|
char *phi_data, np.npy_intp *phi_shape, np.npy_intp *phi_strides,
|
|
char *r_ge_d_data, np.npy_intp *phi_shape, np.npy_intp *phi_strides) nogil
|
|
|
|
int qpms_trans_calculator_get_trans_array(const qpms_trans_calculator *c,
|
|
cdouble *target,
|
|
const qpms_vswf_set_spec_t *destspec, size_t deststride,
|
|
const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
|
|
csph_t kdlj, bint r_ge_d, qpms_bessel_t J);
|
|
|
|
int qpms_trans_calculator_get_trans_array_lc3p(
|
|
const qpms_trans_calculator *c,
|
|
cdouble *target,
|
|
const qpms_vswf_set_spec_t *destspec, size_t deststride,
|
|
const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
|
|
cdouble k, cart3_t destpos, cart3_t srcpos,
|
|
qpms_bessel_t J
|
|
);
|
|
|
|
cdef extern from "qpms_specfunc.h":
|
|
struct qpms_pitau_t:
|
|
qpms_l_t lMax
|
|
double *leg
|
|
double *pi
|
|
double *tau
|
|
qpms_pitau_t qpms_pitau_get(double theta, qpms_l_t lMax, double csphase)
|
|
qpms_errno_t qpms_pitau_fill(double *leg, double *pi, double *tau, double theta, qpms_l_t lMax, double csphase)
|
|
void qpms_pitau_free(qpms_pitau_t pitau)
|
|
|
|
|
|
cdef extern from "gsl/gsl_interp.h":
|
|
struct gsl_interp_type:
|
|
pass
|
|
const gsl_interp_type *gsl_interp_linear
|
|
const gsl_interp_type *gsl_interp_cspline
|
|
# ^^^ These are probably the only relevant ones.
|
|
|
|
cdef extern from "materials.h":
|
|
struct qpms_epsmu_generator_t:
|
|
qpms_epsmu_t (*function)(cdouble omega, const void *params)
|
|
const void *params
|
|
qpms_epsmu_t qpms_epsmu_const_g(cdouble omega, const void *params)
|
|
qpms_epsmu_t qpms_permittivity_interpolator_epsmu_g(cdouble omega, const void *epsmu)
|
|
qpms_epsmu_t qpms_lorentzdrude_epsmu_g(cdouble omega, const void *ldparams)
|
|
|
|
struct qpms_permittivity_interpolator_t:
|
|
pass
|
|
qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_create(const size_t incount,
|
|
cdouble *wavelength_m, cdouble *n, cdouble *k, const gsl_interp_type *iptype)
|
|
qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_from_yml(const char *path,
|
|
const gsl_interp_type *iptype)
|
|
cdouble qpms_permittivity_interpolator_eps_at_omega(const qpms_permittivity_interpolator_t *interp, double omega_SI)
|
|
double qpms_permittivity_interpolator_omega_max(const qpms_permittivity_interpolator_t *interp)
|
|
double qpms_permittivity_interpolator_omega_min(const qpms_permittivity_interpolator_t *interp)
|
|
void qpms_permittivity_interpolator_free(qpms_permittivity_interpolator_t *interp)
|
|
struct qpms_ldparams_triple_t:
|
|
double f
|
|
double omega
|
|
double gamma
|
|
struct qpms_ldparams_t:
|
|
cdouble eps_inf
|
|
double omega_p
|
|
size_t n
|
|
qpms_ldparams_triple_t data[0]
|
|
cdouble qpms_lorentzdrude_eps(cdouble, const qpms_ldparams_t *)
|
|
|
|
cdef extern from "tmatrices.h":
|
|
bint qpms_load_scuff_tmatrix_crash_on_failure
|
|
struct qpms_tmatrix_generator_t:
|
|
qpms_errno_t (*function)(qpms_tmatrix_t *t, cdouble omega, const void *params)
|
|
const void *params
|
|
qpms_errno_t qpms_tmatrix_generator_axialsym(qpms_tmatrix_t *t, cdouble omega, const void *params)
|
|
qpms_errno_t qpms_tmatrix_generator_interpolator(qpms_tmatrix_t *t, cdouble omega, const void *params)
|
|
qpms_errno_t qpms_tmatrix_generator_sphere(qpms_tmatrix_t *t, cdouble omega, const void *params)
|
|
qpms_errno_t qpms_tmatrix_generator_constant(qpms_tmatrix_t *t, cdouble omega, const void *params)
|
|
struct qpms_tmatrix_generator_sphere_param_t:
|
|
qpms_epsmu_generator_t outside
|
|
qpms_epsmu_generator_t inside
|
|
double radius
|
|
struct qpms_arc_function_retval_t:
|
|
double r
|
|
double beta
|
|
struct qpms_arc_function_t:
|
|
qpms_arc_function_retval_t (*function)(double theta, const void *params)
|
|
const void *params
|
|
struct qpms_tmatrix_generator_axialsym_param_t:
|
|
qpms_epsmu_generator_t outside
|
|
qpms_epsmu_generator_t inside
|
|
qpms_arc_function_t shape
|
|
qpms_l_t lMax_extend
|
|
struct qpms_arc_cylinder_params_t:
|
|
double R
|
|
double h
|
|
qpms_arc_function_retval_t qpms_arc_cylinder(double theta, const void *params)
|
|
qpms_arc_function_retval_t qpms_arc_sphere(double theta, const void *params)
|
|
struct qpms_tmatrix_interpolator_t:
|
|
const qpms_vswf_set_spec_t *bspec
|
|
void qpms_tmatrix_interpolator_free(qpms_tmatrix_interpolator_t *interp)
|
|
qpms_tmatrix_t *qpms_tmatrix_interpolator_eval(const qpms_tmatrix_interpolator_t *interp, double freq)
|
|
qpms_tmatrix_interpolator_t *qpms_tmatrix_interpolator_create(size_t n, double *freqs,
|
|
const qpms_tmatrix_t *tmatrices_array, const gsl_interp_type *iptype)
|
|
void qpms_tmatrix_free(qpms_tmatrix_t *tmatrix)
|
|
qpms_tmatrix_isclose(const qpms_tmatrix_t *A, const qpms_tmatrix_t *B,
|
|
const double rtol, const double atol)
|
|
qpms_errno_t qpms_symmetrise_tmdata_irot3arr(
|
|
cdouble *tmdata, const size_t tmcount,
|
|
const qpms_vswf_set_spec_t *bspec,
|
|
size_t n_symops,
|
|
const qpms_irot3_t *symops
|
|
)
|
|
qpms_errno_t qpms_symmetrise_tmdata_finite_group(
|
|
cdouble *tmdata, const size_t tmcount,
|
|
const qpms_vswf_set_spec_t *bspec,
|
|
const qpms_finite_group_t *pointgroup
|
|
)
|
|
qpms_tmatrix_t *qpms_tmatrix_symmetrise_irot3arr_inplace(
|
|
qpms_tmatrix_t *T,
|
|
size_t n_symops,
|
|
const qpms_irot3_t *symops
|
|
)
|
|
qpms_tmatrix_t *qpms_tmatrix_symmetrise_finite_group_inplace(
|
|
qpms_tmatrix_t *T,
|
|
const qpms_finite_group_t *pointgroup
|
|
)
|
|
qpms_errno_t qpms_load_scuff_tmatrix(const char *path, const qpms_vswf_set_spec_t *bspec,
|
|
size_t *n, double **freqs, double **freqs_su, qpms_tmatrix_t **tmatrices_array,
|
|
cdouble **tmdata)
|
|
cdouble *qpms_mie_coefficients_reflection(cdouble *target, const qpms_vswf_set_spec_t *bspec,
|
|
double a, cdouble k_i, cdouble k_e, cdouble mu_i, cdouble mu_e, qpms_bessel_t J_ext, qpms_bessel_t J_scat)
|
|
qpms_tmatrix_t *qpms_tmatrix_spherical(const qpms_vswf_set_spec_t *bspec, double a,
|
|
cdouble k_i, cdouble k_e, cdouble mu_i, cdouble mu_e)
|
|
qpms_errno_t qpms_tmatrix_spherical_fill(qpms_tmatrix_t *t, double a,
|
|
cdouble k_i, cdouble k_e, cdouble mu_i, cdouble mu_e)
|
|
qpms_tmatrix_t *qpms_tmatrix_spherical(const qpms_vswf_set_spec_t *bspec,
|
|
double a, cdouble k_i, cdouble k_e, cdouble mu_i, cdouble mu_e)
|
|
cdouble qpms_drude_epsilon(cdouble eps_inf, cdouble omega_p, cdouble gamma_p, cdouble omega)
|
|
qpms_errno_t qpms_tmatrix_spherical_mu0_fill(qpms_tmatrix_t *t, double a, double omega,
|
|
cdouble epsilon_fg, cdouble epsilon_bg)
|
|
qpms_tmatrix_t *qpms_tmatrix_spherical_mu0(const qpms_vswf_set_spec_t *bspec, double a,
|
|
double omega, cdouble epsilon_fg, cdouble epsilon_bg)
|
|
qpms_errno_t qpms_tmatrix_generator_axialsym_RQ_transposed_fill(cdouble *target, cdouble omega,
|
|
const qpms_tmatrix_generator_axialsym_param_t *param, qpms_normalisation_t norm, qpms_bessel_t J)
|
|
struct qpms_tmatrix_function_t:
|
|
const qpms_vswf_set_spec_t *spec
|
|
const qpms_tmatrix_generator_t *gen
|
|
ctypedef enum qpms_tmatrix_operation_kind_t:
|
|
QPMS_TMATRIX_OPERATION_NOOP
|
|
QPMS_TMATRIX_OPERATION_LRMATRIX
|
|
QPMS_TMATRIX_OPERATION_IROT3
|
|
QPMS_TMATRIX_OPERATION_IROT3ARR
|
|
QPMS_TMATRIX_OPERATION_COMPOSE_SUM
|
|
QPMS_TMATRIX_OPERATION_COMPOSE_CHAIN
|
|
QPMS_TMATRIX_OPERATION_SCMULZ
|
|
QPMS_TMATRIX_OPERATION_FINITE_GROUP_SYMMETRISE
|
|
|
|
struct qpms_tmatrix_operation_t:
|
|
qpms_tmatrix_operation_kind_t typ
|
|
pass # TODO add the op union later if needed
|
|
const qpms_tmatrix_operation_t qpms_tmatrix_operation_noop
|
|
void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *)
|
|
|
|
cdef extern from "pointgroups.h":
|
|
bint qpms_pg_is_finite_axial(qpms_pointgroup_class cls)
|
|
double qpms_pg_quat_cmp_atol
|
|
int qpms_pg_irot3_cmp(const qpms_irot3_t *, const qpms_irot3_t *);
|
|
int qpms_pg_irot3_cmp_v(const void *, const void *);
|
|
int qpms_pg_irot3_approx_cmp(const qpms_irot3_t *a, const qpms_irot3_t *b, double atol)
|
|
int qpms_pg_irot3_approx_cmp_v(const void *a, const void *b)
|
|
|
|
qpms_gmi_t qpms_pg_order(qpms_pointgroup_class cls, qpms_gmi_t n)
|
|
qpms_irot3_t *qpms_pg_canonical_elems( qpms_irot3_t *target, qpms_pointgroup_class cls, qpms_gmi_t n)
|
|
qpms_gmi_t qpms_pg_genset_size(qpms_pointgroup_class cls, qpms_gmi_t n)
|
|
qpms_gmi_t qpms_pg_genset(qpms_pointgroup_class cls, qpms_gmi_t n, qpms_irot3_t *gen)
|
|
qpms_irot3_t *qpms_pg_elems(qpms_irot3_t *target, qpms_pointgroup_t g)
|
|
bint qpms_pg_is_subgroup(qpms_pointgroup_t a, qpms_pointgroup_t b);
|
|
|
|
cdef extern from "scatsystem.h":
|
|
void qpms_scatsystem_set_nthreads(long n)
|
|
struct qpms_particle_t:
|
|
cart3_t pos
|
|
const qpms_tmatrix_function_t *tmg
|
|
qpms_tmatrix_operation_t op
|
|
struct qpms_particle_tid_t:
|
|
cart3_t pos
|
|
qpms_ss_tmi_t tmatrix_id
|
|
struct qpms_ss_derived_tmatrix_t:
|
|
qpms_ss_tmgi_t tmgi
|
|
qpms_tmatrix_operation_t op
|
|
struct qpms_scatsys_periodic_info_t:
|
|
cart3_t lattice_basis[3]
|
|
cart3_t reciprocal_basis[3]
|
|
double unitcell_volume
|
|
double eta
|
|
#etc.
|
|
struct qpms_scatsys_t:
|
|
int lattice_dimension
|
|
qpms_epsmu_generator_t medium
|
|
qpms_tmatrix_function_t *tmg
|
|
qpms_ss_tmgi_t tmg_count
|
|
qpms_ss_derived_tmatrix_t *tm
|
|
qpms_ss_tmi_t tm_count
|
|
qpms_particle_tid_t *p
|
|
qpms_ss_pi_t p_count
|
|
# We shouldn't need more to construct a symmetric scatsystem ^^^
|
|
size_t fecv_size
|
|
size_t *saecv_sizes
|
|
const qpms_finite_group_t *sym
|
|
qpms_scatsys_periodic_info_t per
|
|
|
|
# per[] and other stuff not currently needed in cython
|
|
void qpms_scatsys_free(qpms_scatsys_t *s)
|
|
qpms_errno_t qpms_scatsys_dump(qpms_scatsys_t *ss, char *path) #NI
|
|
qpms_scatsys_t *qpms_scatsys_load(char *path) #NI
|
|
struct qpms_scatsys_at_omega_t:
|
|
const qpms_scatsys_t *ss
|
|
qpms_tmatrix_t **tm,
|
|
cdouble omega
|
|
qpms_epsmu_t medium
|
|
cdouble wavenumber
|
|
qpms_scatsys_at_omega_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qpms_finite_group_t *sym,
|
|
cdouble omega, const qpms_tolerance_spec_t *tol)
|
|
qpms_scatsys_at_omega_t *qpms_scatsys_at_omega(const qpms_scatsys_t *ss, cdouble omega)
|
|
void qpms_scatsys_at_omega_free(qpms_scatsys_at_omega_t *ssw)
|
|
cdouble *qpms_scatsys_irrep_pack_matrix(cdouble *target_packed,
|
|
const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri)
|
|
cdouble *qpms_scatsys_irrep_unpack_matrix(cdouble *target_full,
|
|
const cdouble *orig_packed, const qpms_scatsys_t *ss, qpms_iri_t iri, bint add)
|
|
cdouble *qpms_scatsys_irrep_pack_vector(cdouble *target_packed,
|
|
const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri)
|
|
cdouble *qpms_scatsys_irrep_unpack_vector(cdouble *target_full,
|
|
const cdouble *orig_packed, const qpms_scatsys_t *ss, qpms_iri_t iri, bint add)
|
|
cdouble *qpms_scatsysw_build_modeproblem_matrix_full(cdouble *target,
|
|
const qpms_scatsys_at_omega_t *ssw)
|
|
cdouble *qpms_scatsys_build_translation_matrix_full(cdouble *target,
|
|
const qpms_scatsys_t *ss, cdouble k)
|
|
cdouble *qpms_scatsys_build_translation_matrix_e_full(cdouble *target,
|
|
const qpms_scatsys_t *ss, cdouble k, qpms_bessel_t J)
|
|
cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed(cdouble *target,
|
|
const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil
|
|
cdouble *qpms_scatsys_build_translation_matrix_e_irrep_packed(cdouble *target,
|
|
const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k, qpms_bessel_t J) nogil
|
|
cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_orbitorderR(
|
|
cdouble *target, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil
|
|
cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_serial(
|
|
cdouble *target, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil
|
|
cdouble *qpms_scatsys_incident_field_vector_full(cdouble *target_full,
|
|
const qpms_scatsys_t *ss, qpms_incfield_t field_at_point,
|
|
const void *args, bint add) nogil
|
|
cdouble *qpms_scatsysw_apply_Tmatrices_full(cdouble *target_full, const cdouble *inc_full,
|
|
const qpms_scatsys_at_omega_t *ssw) nogil
|
|
struct qpms_ss_LU:
|
|
const qpms_scatsys_at_omega_t *ssw
|
|
const qpms_scatsys_at_omega_k_t *sswk
|
|
bint full
|
|
qpms_iri_t iri
|
|
cdouble *a
|
|
int *ipiv
|
|
void qpms_ss_LU_free(qpms_ss_LU lu)
|
|
qpms_ss_LU qpms_scatsysw_build_modeproblem_matrix_full_LU(cdouble *target,
|
|
int *target_piv, const qpms_scatsys_at_omega_t *ssw) nogil
|
|
qpms_ss_LU qpms_scatsysw_build_modeproblem_matrix_irrep_packed_LU(cdouble *target,
|
|
int *target_piv, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil
|
|
qpms_ss_LU qpms_scatsysw_modeproblem_matrix_full_factorise(cdouble *modeproblem_matrix_full,
|
|
int *target_piv, const qpms_scatsys_at_omega_t *ssw) nogil
|
|
qpms_ss_LU qpms_scatsysw_modeproblem_matrix_irrep_packed_factorise(cdouble *modeproblem_matrix_full,
|
|
int *target_piv, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil
|
|
cdouble *qpms_scatsys_scatter_solve(cdouble *target_f, const cdouble *a_inc, qpms_ss_LU ludata) nogil
|
|
const qpms_vswf_set_spec_t *qpms_ss_bspec_tmi(const qpms_scatsys_t *ss, qpms_ss_tmi_t tmi) nogil
|
|
const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi) nogil
|
|
beyn_result_t *qpms_scatsys_finite_find_eigenmodes(const qpms_scatsys_t *ss, qpms_iri_t iri,
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cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints,
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double rank_tol, size_t rank_sel_min, double res_tol) nogil
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# periodic-related funs
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struct qpms_scatsys_at_omega_k_t:
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const qpms_scatsys_at_omega_t *ssw
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double k[3]
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double eta
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cdouble *qpms_scatsyswk_build_modeproblem_matrix_full(cdouble *target, const qpms_scatsys_at_omega_k_t *sswk)
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cdouble *qpms_scatsys_periodic_build_translation_matrix_full(cdouble *target, const qpms_scatsys_t *ss, cdouble wavenumber, const cart3_t *wavevector, double eta)
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qpms_ss_LU qpms_scatsyswk_build_modeproblem_matrix_full_LU(cdouble *target, int *target_piv, const qpms_scatsys_at_omega_k_t *sswk)
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beyn_result_t *qpms_scatsys_periodic_find_eigenmodes(const qpms_scatsys_t *ss, const double *k,
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cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints,
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double rank_tol, size_t rank_sel_min, double res_tol) nogil
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ccart3_t qpms_scatsys_scattered_E(const qpms_scatsys_t *ss, qpms_bessel_t btyp, cdouble wavenumber,
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const cdouble *f_excitation_vector_full, cart3_t where) nogil
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ccart3_t qpms_scatsysw_scattered_E(const qpms_scatsys_at_omega_t *ssw, qpms_bessel_t btyp,
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const cdouble *f_excitation_vector_full, cart3_t where) nogil
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ccart3_t qpms_scatsys_scattered_E__alt(const qpms_scatsys_t *ss, qpms_bessel_t btyp, cdouble wavenumber,
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const cdouble *f_excitation_vector_full, cart3_t where) nogil
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ccart3_t qpms_scatsysw_scattered_E__alt(const qpms_scatsys_at_omega_t *ssw, qpms_bessel_t btyp,
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const cdouble *f_excitation_vector_full, cart3_t where) nogil
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ccart3_t qpms_scatsyswk_scattered_E(const qpms_scatsys_at_omega_k_t *sswk, qpms_bessel_t btyp,
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const cdouble *f_excitation_vector_full, cart3_t where) nogil
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qpms_errno_t qpms_scatsyswk_scattered_field_basis(ccart3_t *target, const qpms_scatsys_at_omega_k_t *sswk,
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qpms_bessel_t btyp, cart3_t where) nogil
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double qpms_ss_adjusted_eta(const qpms_scatsys_t *ss, cdouble wavenumber, const double *wavevector) nogil
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cdef extern from "ewald.h":
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struct qpms_csf_result:
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cdouble val
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double err
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ctypedef enum qpms_ewald_part:
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QPMS_EWALD_LONG_RANGE
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QPMS_EWALD_SHORT_RANGE
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QPMS_EWALD_FULL
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QPMS_EWALD_0TERM
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struct qpms_ewald3_constants_t:
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qpms_l_t lMax
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qpms_y_t nelem_sc
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qpms_ewald3_constants_t *qpms_ewald3_constants_init(qpms_l_t lMax, int csphase)
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void qpms_ewald3_constants_free(qpms_ewald3_constants_t *c)
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cdouble lilgamma(double t)
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cdouble clilgamma(cdouble z)
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int cx_gamma_inc_series_e(double a, cdouble x, qpms_csf_result *result)
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int cx_gamma_inc_CF_e(double a, cdouble x, qpms_csf_result *result)
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int complex_gamma_inc_e(double a, cdouble x, int m, qpms_csf_result *result)
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int ewald3_sigma0(cdouble *target, double *err, const qpms_ewald3_constants_t *c, double eta, cdouble wavenumber)
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int ewald3_sigma_long(cdouble *target_sigmalr_y, double *target_sigmalr_y_err, const qpms_ewald3_constants_t *c,
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double eta, cdouble wavenumber, double unitcell_volume, LatticeDimensionality latdim, PGen *pgen_K,
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bint pgen_generates_shifted_points, cart3_t k, cart3_t particle_shift)
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int ewald3_sigma_short(cdouble *target_sigmasr_y, double *target_sigmasr_y_err, const qpms_ewald3_constants_t *c,
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double eta, cdouble wavenumber, LatticeDimensionality latdim, PGen *pgen_R,
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bint pgen_generates_shifted_points, cart3_t k, cart3_t particle_shift)
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cdef extern from "beyn.h":
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ctypedef struct beyn_contour_t:
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bint (*inside_test)(beyn_contour_t *, cdouble z)
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pass
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ctypedef struct beyn_result_t:
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size_t neig
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size_t vlen
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cdouble *eigval
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cdouble *eigval_err
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double *residuals
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cdouble *eigvec
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double *ranktest_SV
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ctypedef enum beyn_contour_halfellipse_orientation:
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BEYN_CONTOUR_HALFELLIPSE_RE_PLUS
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BEYN_CONTOUR_HALFELLIPSE_IM_PLUS
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BEYN_CONTOUR_HALFELLIPSE_RE_MINUS
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BEYN_CONTOUR_HALFELLIPSE_IM_MINUS
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ctypedef int (*beyn_function_M_t)(cdouble *target_M, size_t m, cdouble z, void *params)
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ctypedef int (*beyn_function_M_inv_Vhat_t)(cdouble *target, size_t m, size_t l, const cdouble *Vhat, cdouble z, void *params)
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void beyn_result_free(beyn_result_t *result)
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beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M,
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beyn_function_M_inv_Vhat_t M_inv_Vhat, void *params, const beyn_contour_t *contour,
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double rank_tol, size_t rank_min_sel, double res_tol)
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beyn_contour_t *beyn_contour_ellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints)
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beyn_contour_t *beyn_contour_halfellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints,
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beyn_contour_halfellipse_orientation ori)
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beyn_contour_t *beyn_contour_kidney(cdouble centre, double halfax_re, double halfax_im, size_t npoints,
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double rounding, beyn_contour_halfellipse_orientation ori)
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