qpms/qpms/qpms_cdefs.pxd

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cimport numpy as np
ctypedef double complex cdouble
from libc.stdint cimport *
cdef extern from "gsl/gsl_errno.h":
ctypedef void gsl_error_handler_t (const char *reason, const char *file,
int line, int gsl_errno)
gsl_error_handler_t *gsl_set_error_handler(gsl_error_handler_t *new_handler)
gsl_error_handler_t *gsl_set_error_handler_off();
cdef extern from "gsl/gsl_const_mksa.h":
const double GSL_CONST_MKSA_SPEED_OF_LIGHT
cdef extern from "qpms_types.h":
cdef struct cart3_t:
double x
double y
double z
cdef struct ccart3_t:
cdouble x
cdouble y
cdouble z
cdef struct cart2_t:
double x
double y
cdef struct sph_t:
double r
double theta
double phi
cdef struct csph_t:
cdouble r
double theta
double phi
cdef struct csphvec_t:
cdouble rc
cdouble thetac
cdouble phic
cdef struct pol_t:
double r
double phi
cdef union anycoord_point_t:
double z
cart3_t cart3
cart2_t cart2
pol_t pol
ctypedef enum qpms_normalisation_t:
QPMS_NORMALISATION_UNDEF
QPMS_NORMALISATION_INVERSE
QPMS_NORMALISATION_REVERSE_AZIMUTHAL_PHASE
QPMS_NORMALISATION_SPHARM_REAL
QPMS_NORMALISATION_CSPHASE
QPMS_NORMALISATION_M_I
QPMS_NORMALISATION_M_MINUS
QPMS_NORMALISATION_N_I
QPMS_NORMALISATION_N_MINUS
QPMS_NORMALISATION_L_I
QPMS_NORMALISATION_L_MINUS
QPMS_NORMALISATION_NORM_BITSTART
QPMS_NORMALISATION_NORM_POWER
QPMS_NORMALISATION_NORM_SPHARM
QPMS_NORMALISATION_NORM_NONE
QPMS_NORMALISATION_NORM_BITS
QPMS_NORMALISATION_CONVENTION_KRISTENSSON_REAL
QPMS_NORMALISATION_CONVENTION_KRISTENSSON
QPMS_NORMALISATION_CONVENTION_SCUFF
QPMS_NORMALISATION_DEFAULT
ctypedef enum qpms_bessel_t:
QPMS_BESSEL_REGULAR
QPMS_BESSEL_SINGULAR
QPMS_HANKEL_PLUS
QPMS_HANKEL_MINUS
QPMS_BESSEL_UNDEF
ctypedef int qpms_lm_t
ctypedef int qpms_l_t
ctypedef int qpms_m_t
ctypedef size_t qpms_y_t
struct qpms_quat_t:
cdouble a
cdouble b
struct qpms_quat4d_t:
double c1
double ci
double cj
double ck
struct qpms_irot3_t:
qpms_quat_t rot
short det
ctypedef np.ulonglong_t qpms_uvswfi_t
struct qpms_vswf_set_spec_t:
size_t n
qpms_uvswfi_t *ilist
qpms_l_t lMax
qpms_l_t lMax_M
qpms_l_t lMax_N
qpms_l_t lMax_L
size_t capacity
qpms_normalisation_t norm
ctypedef enum qpms_errno_t:
QPMS_SUCCESS
QPMS_ERROR
# more if needed
ctypedef enum qpms_vswf_type_t:
QPMS_VSWF_ELECTRIC
QPMS_VSWF_MAGNETIC
QPMS_VSWF_LONGITUDINAL
ctypedef int32_t qpms_ss_tmgi_t
ctypedef int32_t qpms_ss_tmi_t
ctypedef int32_t qpms_ss_pi_t
ctypedef int qpms_gmi_t
ctypedef int qpms_iri_t
qpms_iri_t QPMS_NO_IRREP
ctypedef const char * qpms_permutation_t
struct qpms_tmatrix_t:
qpms_vswf_set_spec_t *spec
cdouble *m
bint owns_m # FIXME in fact bool
ctypedef enum qpms_pointgroup_class:
QPMS_PGS_CN
QPMS_PGS_S2N
QPMS_PGS_CNH
QPMS_PGS_CNV
QPMS_PGS_DN
QPMS_PGS_DND
QPMS_PGS_DNH
QPMS_PGS_T
QPMS_PGS_TD
QPMS_PGS_TH
QPMS_PGS_O
QPMS_PGS_OH
QPMS_PGS_I
QPMS_PGS_IH
QPMS_PGS_CINF
QPMS_PGS_CINFH
QPMS_PGS_CINFV
QPMS_PGS_DINF
QPMS_PGS_DINFH
QPMS_PGS_SO3
QPMS_PGS_O3
struct qpms_pointgroup_t:
qpms_pointgroup_class c
qpms_gmi_t n
qpms_irot3_t orientation
struct qpms_epsmu_t:
cdouble eps
cdouble mu
# maybe more if needed
cdef extern from "qpms_error.h":
ctypedef enum qpms_dbgmsg_flags:
QPMS_DBGMSG_MISC
QPMS_DBGMSG_THREADS
QPMS_DBGMSG_INTEGRATION
qpms_dbgmsg_flags qpms_dbgmsg_enable(qpms_dbgmsg_flags types)
qpms_dbgmsg_flags qpms_dbgmsg_disable(qpms_dbgmsg_flags types)
cdef extern from "tolerances.h":
struct qpms_tolerance_spec_t:
pass # TODO
const qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT
# This is due to the fact that cython apparently cannot nest the unnamed struct/unions in an obvious way
ctypedef union qpms_incfield_planewave_params_k:
ccart3_t cart
csph_t sph
ctypedef union qpms_incfield_planewave_params_E:
ccart3_t cart
csphvec_t sph
cdef extern from "vswf.h":
ctypedef qpms_errno_t (*qpms_incfield_t)(cdouble *target, const qpms_vswf_set_spec_t *bspec,
const cart3_t evalpoint, const void *args, bint add)
ctypedef struct qpms_incfield_planewave_params_t:
bint use_cartesian
qpms_incfield_planewave_params_k k
qpms_incfield_planewave_params_E E
qpms_errno_t qpms_incfield_planewave(cdouble *target, const qpms_vswf_set_spec_t *bspec,
const cart3_t evalpoint, const void *args, bint add)
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)
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)
cdef extern from "indexing.h":
qpms_y_t qpms_lMax2nelem(qpms_l_t lMax)
qpms_uvswfi_t qpms_tmn2uvswfi(qpms_vswf_type_t t, qpms_m_t m, qpms_l_t n)
qpms_errno_t qpms_uvswfi2tmn(qpms_uvswfi_t u, qpms_vswf_type_t* t, qpms_m_t* m, qpms_l_t* n)
qpms_m_t qpms_uvswfi2m(qpms_uvswfi_t u)
# maybe more if needed
# Point generators from lattices.h
cdef extern from "lattices.h":
ctypedef enum PGenPointFlags:
pass
struct PGenReturnData:
pass
struct PGenZReturnData:
pass
struct PGenPolReturnData:
pass
struct PGenSphReturnData:
pass
struct PGenCart2ReturnData:
pass
struct PGenCart3ReturnData:
pass
struct PGenClassInfo: # maybe important
pass
struct PGen: # probably important
PGenClassInfo* c
void *stateData
void PGen_destroy(PGen *g)
int l2d_reciprocalBasis2pi(cart2_t b1, cart2_t b2, cart2_t *rb1, cart2_t *rb2);
double l2d_unitcell_area(cart2_t b1, cart2_t b2)
void l2d_reduceBasis(cart2_t in1, cart2_t in2, cart2_t *out1, cart2_t *out2)
const double BASIS_RTOL
size_t qpms_emptylattice2_modes_maxfreq(double **target_freqs, cart2_t b1_rec, cart2_t b2_rec,
double rtol, cart2_t k, double wave_speed, double maxomega)
void qpms_emptylattice2_modes_nearest(double *target_freqs, cart2_t b1_rec, cart2_t b2_rec,
double rtol, cart2_t k, double wave_speed, double omega)
# now the individual PGen implementations:
# FIXME Is bint always guaranteed to be equivalent to _Bool? (I dont't think so.)
PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double rtol, cart2_t offset,
double minR, bint inc_minR, double maxR, bint inc_maxR)
ctypedef enum PGen_1D_incrementDirection:
PGEN_1D_INC_FROM_ORIGIN
PGEN_1D_INC_TOWARDS_ORIGIN
PGen PGen_1D_new_minMaxR(double period, double offset, double minR, bint inc_minR,
double maxR, bint inc_maxR, PGen_1D_incrementDirection incdir)
int qpms_reduce_lattice_basis(double *b, size_t bsize, size_t ndim, double delta)
ctypedef enum LatticeDimensionality:
LAT1D
LAT2D
LAT3D
SPACE1D
SPACE2D
SPACE3D
LAT_1D_IN_3D
LAT_2D_IN_3D
LAT_3D_IN_3D
LAT_ZONLY
LAT_XYONLY
LAT_1D_IN_3D_ZONLY
LAT_2D_IN_3D_XYONLY
cdef extern from "vectors.h":
cart2_t cart2_substract(cart2_t a, cart2_t b)
cart2_t cart2_scale(const double c, cart2_t b)
double cart2norm(cart2_t a)
const cart2_t CART2_ZERO
cdef extern from "quaternions.h":
qpms_quat_t qpms_quat_2c_from_4d(qpms_quat4d_t q)
qpms_quat4d_t qpms_quat_4d_from_2c(qpms_quat_t q)
qpms_quat_t qpms_quat_mult(qpms_quat_t p, qpms_quat_t q)
qpms_quat_t qpms_quat_add(qpms_quat_t p, qpms_quat_t q)
qpms_quat_t qpms_quat_rscale(double s, qpms_quat_t q)
qpms_quat_t qpms_quat_conj(qpms_quat_t q)
double qpms_quat_norm(qpms_quat_t q)
double qpms_quat_imnorm(qpms_quat_t q)
qpms_quat_t qpms_quat_normalise(qpms_quat_t q)
qpms_quat_t qpms_quat_log(qpms_quat_t q)
qpms_quat_t qpms_quat_exp(qpms_quat_t q)
qpms_quat_t qpms_quat_pow(qpms_quat_t q, double exponent)
cdouble qpms_wignerD_elem(qpms_quat_t q, qpms_l_t l,
qpms_m_t mp, qpms_m_t m)
qpms_irot3_t qpms_irot3_mult(qpms_irot3_t p, qpms_irot3_t q)
qpms_irot3_t qpms_irot3_pow(qpms_irot3_t p, int n)
qpms_quat_t qpms_quat_from_rotvector(cart3_t v)
cdef extern from "groups.h":
struct qpms_finite_group_irrep_t:
int dim
char *name
cdouble *m
struct qpms_finite_group_t:
char *name
qpms_gmi_t order
qpms_gmi_t idi
qpms_gmi_t *mt
qpms_gmi_t *invi
qpms_gmi_t *gens
int ngens
qpms_permutation_t *permrep
char **elemlabels
int permrep_nelem
qpms_irot3_t *rep3d
qpms_iri_t nirreps
qpms_finite_group_irrep_t *irreps
qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL
qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL_G
cdef extern from "symmetries.h":
cdouble *qpms_zflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
cdouble *qpms_yflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
cdouble *qpms_xflip_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec)
cdouble *qpms_zrot_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, double phi)
cdouble *qpms_zrot_rational_uvswi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, int N, int w)
cdouble *qpms_irot3_uvswfi_dense(cdouble *target, const qpms_vswf_set_spec_t *bspec, qpms_irot3_t transf)
size_t qpms_zero_roundoff_clean(double *arr, size_t nmemb, double atol)
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]
double unitcell_volume
#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)
cdouble *qpms_scatsysw_apply_Tmatrices_full(cdouble *target_full, const cdouble *inc_full,
const qpms_scatsys_at_omega_t *ssw)
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)
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)
qpms_ss_LU qpms_scatsysw_modeproblem_matrix_full_factorise(cdouble *modeproblem_matrix_full,
int *target_piv, const qpms_scatsys_at_omega_t *ssw)
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)
cdouble *qpms_scatsys_scatter_solve(cdouble *target_f, const cdouble *a_inc, qpms_ss_LU ludata)
const qpms_vswf_set_spec_t *qpms_ss_bspec_tmi(const qpms_scatsys_t *ss, qpms_ss_tmi_t tmi)
const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi)
beyn_result_t *qpms_scatsys_finite_find_eigenmodes(const qpms_scatsys_t *ss, qpms_iri_t iri,
cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints,
double rank_tol, size_t rank_sel_min, double res_tol)
# periodic-related funs
struct qpms_scatsys_at_omega_k_t:
const qpms_scatsys_at_omega_t *ssw
double k[3]
cdouble *qpms_scatsyswk_build_modeproblem_motrix_full(cdouble *target, const qpms_scatsys_at_omega_k_t *sswk)
cdouble *qpms_scatsys_periodic_build_translation_matrix_full(cdouble *target, const qpms_scatsys_t *ss, cdouble wavenumber, const cart3_t *wavevector)
qpms_ss_LU qpms_scatsyswk_build_modeproblem_matrix_full_LU(cdouble *target, int *target_piv, const qpms_scatsys_at_omega_k_t *sswk)
beyn_result_t *qpms_scatsys_periodic_find_eigenmodes(const qpms_scatsys_t *ss, const double *k,
cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints,
double rank_tol, size_t rank_sel_min, double res_tol)
const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi)
ccart3_t qpms_scatsys_scattered_E(const qpms_scatsys_t *ss, cdouble wavenumber,
const cdouble *f_excitation_vector_full, cart3_t where)
ccart3_t qpms_scatsysw_scattered_E(const qpms_scatsys_at_omega_t *ssw,
const cdouble *f_excitation_vector_full, cart3_t where)
cdef extern from "ewald.h":
struct qpms_csf_result:
cdouble val
double err
ctypedef enum qpms_ewald_part:
QPMS_EWALD_LONG_RANGE
QPMS_EWALD_SHORT_RANGE
QPMS_EWALD_FULL
QPMS_EWALD_0TERM
struct qpms_ewald3_constants_t:
qpms_l_t lMax
qpms_y_t nelem_sc
qpms_ewald3_constants_t *qpms_ewald3_constants_init(qpms_l_t lMax, int csphase)
void qpms_ewald3_constants_free(qpms_ewald3_constants_t *c)
cdouble lilgamma(double t)
cdouble clilgamma(cdouble z)
int cx_gamma_inc_series_e(double a, cdouble x, qpms_csf_result *result)
int cx_gamma_inc_CF_e(double a, cdouble x, qpms_csf_result *result)
int complex_gamma_inc_e(double a, cdouble x, int m, qpms_csf_result *result)
int ewald3_sigma0(cdouble *target, double *err, const qpms_ewald3_constants_t *c, double eta, cdouble wavenumber)
int ewald3_sigma_long(cdouble *target_sigmalr_y, double *target_sigmalr_y_err, const qpms_ewald3_constants_t *c,
double eta, cdouble wavenumber, double unitcell_volume, LatticeDimensionality latdim, PGen *pgen_K,
bint pgen_generates_shifted_points, cart3_t k, cart3_t particle_shift)
int ewald3_sigma_short(cdouble *target_sigmasr_y, double *target_sigmasr_y_err, const qpms_ewald3_constants_t *c,
double eta, cdouble wavenumber, LatticeDimensionality latdim, PGen *pgen_R,
bint pgen_generates_shifted_points, cart3_t k, cart3_t particle_shift)
cdef extern from "gsl/gsl_complex.h":
ctypedef struct gsl_complex:
double dat[2]
cdef extern from "gsl/gsl_matrix.h":
ctypedef struct gsl_matrix_complex:
pass
ctypedef struct gsl_vector:
pass
ctypedef struct gsl_vector_complex:
pass
cdef extern from "beyn.h":
ctypedef struct beyn_contour_t:
bint (*inside_test)(beyn_contour_t *, cdouble z)
pass
ctypedef struct beyn_result_gsl_t:
pass
ctypedef struct beyn_result_t:
size_t neig
size_t vlen
cdouble *eigval
cdouble *eigval_err
double *residuals
cdouble *eigvec
double *ranktest_SV
beyn_result_gsl_t *gsl
ctypedef enum beyn_contour_halfellipse_orientation:
BEYN_CONTOUR_HALFELLIPSE_RE_PLUS
BEYN_CONTOUR_HALFELLIPSE_IM_PLUS
BEYN_CONTOUR_HALFELLIPSE_RE_MINUS
BEYN_CONTOUR_HALFELLIPSE_IM_MINUS
ctypedef int (*beyn_function_M_gsl_t)(gsl_matrix_complex *target_M, cdouble z, void *params)
ctypedef int (*beyn_function_M_inv_Vhat_gsl_t)(gsl_matrix_complex *target, const gsl_matrix_complex *Vhat, cdouble z, void *params)
ctypedef int (*beyn_function_M_t)(cdouble *target_M, size_t m, cdouble z, void *params)
ctypedef int (*beyn_function_M_inv_Vhat_t)(cdouble *target, size_t m, size_t l, const cdouble *Vhat, cdouble z, void *params)
void beyn_result_gsl_free(beyn_result_gsl_t *result)
void beyn_result_free(beyn_result_t *result)
beyn_result_gsl_t *beyn_solve_gsl(size_t m, size_t l, beyn_function_M_gsl_t M,
beyn_function_M_inv_Vhat_gsl_t M_inv_Vhat, void *params, const beyn_contour_t *contour,
double rank_tol, size_t rank_min_sel, double res_tol)
beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M,
beyn_function_M_inv_Vhat_t M_inv_Vhat, void *params, const beyn_contour_t *contour,
double rank_tol, size_t rank_min_sel, double res_tol)
beyn_contour_t *beyn_contour_ellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints)
beyn_contour_t *beyn_contour_halfellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints,
beyn_contour_halfellipse_orientation ori)
beyn_contour_t *beyn_contour_kidney(cdouble centre, double halfax_re, double halfax_im, size_t npoints,
double rounding, beyn_contour_halfellipse_orientation ori)
cdouble gsl_comlpex_tostd(gsl_complex z)
gsl_complex gsl_complex_fromstd(cdouble z)