extern "C" in headers
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10
qpms/beyn.h
10
qpms/beyn.h
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@ -3,6 +3,9 @@
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*/
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*/
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#ifndef BEYN_H
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#ifndef BEYN_H
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#define BEYN_H
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#define BEYN_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <stddef.h>
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#include <stddef.h>
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@ -47,12 +50,12 @@ typedef enum {
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/// Complex plane "half-elliptic" integration contour with axes parallel to the real, imaginary axes.
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/// Complex plane "half-elliptic" integration contour with axes parallel to the real, imaginary axes.
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/** Free using free(). */
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/** Free using free(). */
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beyn_contour_t *beyn_contour_halfellipse(_Complex double centre, double halfax_re, double halfax_im, size_t npoints,
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beyn_contour_t *beyn_contour_halfellipse(_Complex double centre, double halfax_re, double halfax_im, size_t npoints,
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beyn_contour_halfellipse_orientation or);
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beyn_contour_halfellipse_orientation o);
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/// Similar to halfellipse but with rounded corners.
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/// Similar to halfellipse but with rounded corners.
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beyn_contour_t *beyn_contour_kidney(_Complex double centre, double halfax_re, double halfax_im,
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beyn_contour_t *beyn_contour_kidney(_Complex double centre, double halfax_re, double halfax_im,
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double rounding, ///< Must be in interval [0, 0.5)
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double rounding, ///< Must be in interval [0, 0.5)
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size_t n, beyn_contour_halfellipse_orientation or);
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size_t n, beyn_contour_halfellipse_orientation o);
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/// Beyn algorithm result structure (pure C array version).
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/// Beyn algorithm result structure (pure C array version).
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@ -82,4 +85,7 @@ beyn_result_t *beyn_solve(
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double res_tol ///< (default: `0.0`) TODO DOC.
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double res_tol ///< (default: `0.0`) TODO DOC.
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);
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);
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#ifdef __cplusplus
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}
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#endif
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#endif // BEYN_H
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#endif // BEYN_H
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@ -26,6 +26,10 @@
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#ifndef EWALD_H
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#ifndef EWALD_H
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#define EWALD_H
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#define EWALD_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <gsl/gsl_sf_result.h>
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#include <gsl/gsl_sf_result.h>
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#include <stdlib.h>
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#include <stdlib.h>
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#include <gsl/gsl_sf_legendre.h>
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#include <gsl/gsl_sf_legendre.h>
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@ -335,4 +339,8 @@ int ewald3_sigma_long( // calls ewald3_21_sigma_long or ewald3_3_sigma_long, dep
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extern int ewald_factor_ipow_l;
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extern int ewald_factor_ipow_l;
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// If nonzero, adds an additional factor \f$ i^{nm} \f$ to the Ewald sum result (for debubbing).
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// If nonzero, adds an additional factor \f$ i^{nm} \f$ to the Ewald sum result (for debubbing).
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extern int ewald_factor_ipow_m;
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extern int ewald_factor_ipow_m;
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#ifdef __cplusplus
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}
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#endif
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#endif //EWALD_H
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#endif //EWALD_H
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*/
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*/
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#ifndef GAUNT_H
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#ifndef GAUNT_H
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#define GAUNT_H
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#define GAUNT_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <stdlib.h>
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#include <stdlib.h>
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#define _GAUNT_H_MIN(x,y) (((x) > (y)) ? (y) : (x))
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#define _GAUNT_H_MIN(x,y) (((x) > (y)) ? (y) : (x))
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int gaunt_table_or_xu_fill(double *target, int m, int n, int mu, int nu);
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int gaunt_table_or_xu_fill(double *target, int m, int n, int mu, int nu);
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#endif //GAUNT_PRECOMPILED
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#endif //GAUNT_PRECOMPILED
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#ifdef __cplusplus
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}
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#endif
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#endif //GAUNT_H
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#endif //GAUNT_H
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*/
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*/
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#ifndef QPMS_GROUPS_H
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#ifndef QPMS_GROUPS_H
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#define QPMS_GROUPS_H
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#define QPMS_GROUPS_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include <assert.h>
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#include <assert.h>
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@ -93,4 +96,7 @@ qpms_iri_t qpms_finite_group_find_irrep_by_name(qpms_finite_group_t *G, char *na
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extern const qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL;
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extern const qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL;
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extern const qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL_G;
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extern const qpms_finite_group_t QPMS_FINITE_GROUP_TRIVIAL_G;
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#ifdef __cplusplus
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}
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#endif
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#endif // QPMS_GROUPS_H
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#endif // QPMS_GROUPS_H
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*/
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*/
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#ifndef QPMS_INDEXING_H
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#ifndef QPMS_INDEXING_H
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#define QPMS_INDEXING_H
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#define QPMS_INDEXING_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include <math.h>
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#include <math.h>
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}
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}
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#ifdef __cplusplus
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}
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#endif
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#endif //QPMS_INDEXING_H
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#endif //QPMS_INDEXING_H
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*/
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*/
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#ifndef KAHANSUM_H
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#ifndef KAHANSUM_H
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#define KAHANSUM_H
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#define KAHANSUM_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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static inline void kahaninit(double * const sum, double * const compensation) {
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static inline void kahaninit(double * const sum, double * const compensation) {
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*sum = 0;
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*sum = 0;
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*sum = nsum;
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*sum = nsum;
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}
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}
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#ifdef __cplusplus
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}
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#endif
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#endif //KAHANSUM_H
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#endif //KAHANSUM_H
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*/
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*/
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#ifndef LATTICES_H
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#ifndef LATTICES_H
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#define LATTICES_H
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#define LATTICES_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <math.h>
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#include <math.h>
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#include <stdbool.h>
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#include <stdbool.h>
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int honeycomb_lattice_gen_extend_to_r(honeycomb_lattice_gen_t *g, double r);
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int honeycomb_lattice_gen_extend_to_r(honeycomb_lattice_gen_t *g, double r);
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void honeycomb_lattice_gen_free(honeycomb_lattice_gen_t *g);
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void honeycomb_lattice_gen_free(honeycomb_lattice_gen_t *g);
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#ifdef __cplusplus
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}
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#endif
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#endif // LATTICES_H
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#endif // LATTICES_H
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*/
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*/
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#ifndef QPMS_MATERIALS_H
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#ifndef QPMS_MATERIALS_H
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#define QPMS_MATERIALS_H
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#define QPMS_MATERIALS_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include <complex.h>
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#include <complex.h>
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#include <gsl/gsl_spline.h>
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#include <gsl/gsl_spline.h>
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}
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}
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#ifdef __cplusplus
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}
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#endif
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#endif //QPMS_MATERIALS_H
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#endif //QPMS_MATERIALS_H
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*/
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*/
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#ifndef NORMALISATION_H
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#ifndef NORMALISATION_H
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#define NORMALISATION_H
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#define NORMALISATION_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include "qpms_error.h"
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#include "qpms_error.h"
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}
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}
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#endif
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#endif
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#ifdef __cplusplus
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}
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#endif
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#endif //NORMALISATION_H
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#endif //NORMALISATION_H
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*/
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*/
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#ifndef QPMS_PARSING_H
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#ifndef QPMS_PARSING_H
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#define QPMS_PARSING_H
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#define QPMS_PARSING_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <stddef.h>
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#include <stddef.h>
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const char *filepath //< File to read from, or NULL, "", "-" to read from stdin.
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const char *filepath //< File to read from, or NULL, "", "-" to read from stdin.
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);
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);
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#ifdef __cplusplus
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}
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#endif
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#endif // QPMS_PARSING_H
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#endif // QPMS_PARSING_H
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*/
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*/
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#ifndef POINTGROUPS_H
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#ifndef POINTGROUPS_H
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#define POINTGROUPS_H
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#define POINTGROUPS_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_error.h"
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#include "qpms_error.h"
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#include "quaternions.h"
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#include "quaternions.h"
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@ -81,4 +84,7 @@ _Bool qpms_pg_is_subgroup(qpms_pointgroup_t a, qpms_pointgroup_t b);
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#ifdef __cplusplus
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}
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#endif
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#endif //POINTGROUPS_H
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#endif //POINTGROUPS_H
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*/
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*/
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#ifndef QPMS_ERROR_H
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#ifndef QPMS_ERROR_H
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#define QPMS_ERROR_H
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#define QPMS_ERROR_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "optim.h"
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#include "optim.h"
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@ -266,4 +269,7 @@ qpms_dbgmsg_flags qpms_dbgmsg_enable(qpms_dbgmsg_flags types);
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}\
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}\
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}
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}
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#ifdef __cplusplus
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}
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#endif
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#endif
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#endif
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*/
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*/
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#ifndef QPMS_SPECFUNC_H
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#ifndef QPMS_SPECFUNC_H
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#define QPMS_SPECFUNC_H
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#define QPMS_SPECFUNC_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include <gsl/gsl_sf_legendre.h>
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#include <gsl/gsl_sf_legendre.h>
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// Associated Legendre polynomial derivative at zero argument (DLMF 14.5.2)
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// Associated Legendre polynomial derivative at zero argument (DLMF 14.5.2)
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double qpms_legendred0(int m, int n);
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double qpms_legendred0(int m, int n);
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#ifdef __cplusplus
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}
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#endif
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#endif // QPMS_SPECFUNC_H
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#endif // QPMS_SPECFUNC_H
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*/
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*/
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#ifndef QPMS_TYPES_H
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#ifndef QPMS_TYPES_H
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#define QPMS_TYPES_H
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#define QPMS_TYPES_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include <stddef.h>
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#include <stddef.h>
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#include <stdint.h>
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#include <stdint.h>
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#include <stdbool.h>
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#include <stdbool.h>
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} qpms_ewald_part;
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} qpms_ewald_part;
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#define lmcheck(l,m) assert((l) >= 1 && abs(m) <= (l))
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#define lmcheck(l,m) assert((l) >= 1 && abs(m) <= (l))
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#ifdef __cplusplus
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}
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#endif
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#endif // QPMS_TYPES
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#endif // QPMS_TYPES
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*/
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*/
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#ifndef QPMSBLAS_H
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#ifndef QPMSBLAS_H
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#define QPMSBLAS_H
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#define QPMSBLAS_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#define QPMS_BLAS_INDEX_T long long int
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#define QPMS_BLAS_INDEX_T long long int
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#ifndef CBLAS_H
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#ifndef CBLAS_H
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@ -31,4 +35,7 @@ void qpms_zgemm(CBLAS_LAYOUT Order, CBLAS_TRANSPOSE TransA, CBLAS_TRANSPOSE Tran
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const _Complex double *B, const QPMS_BLAS_INDEX_T ldb,
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const _Complex double *B, const QPMS_BLAS_INDEX_T ldb,
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const _Complex double *beta, _Complex double *C, const QPMS_BLAS_INDEX_T ldc);
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const _Complex double *beta, _Complex double *C, const QPMS_BLAS_INDEX_T ldc);
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#ifdef __cplusplus
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}
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#endif
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#endif //QPMSBLAS_H
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#endif //QPMSBLAS_H
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*/
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*/
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#ifndef QPMS_WIGNER_H
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#ifndef QPMS_WIGNER_H
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#define QPMS_WIGNER_H
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#define QPMS_WIGNER_H
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#ifdef __cplusplus
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extern "C" {
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#endif
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#include "qpms_types.h"
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#include "qpms_types.h"
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#include "vectors.h"
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#include "vectors.h"
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@ -303,4 +306,7 @@ static inline qpms_irot3_t qpms_irot3_zrot_Nk(double N, double k) {
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return qpms_irot3_zrot_angle(2 * M_PI * k / N);
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return qpms_irot3_zrot_angle(2 * M_PI * k / N);
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}
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}
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#ifdef __cplusplus
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}
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#endif
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#endif //QPMS_WIGNER_H
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#endif //QPMS_WIGNER_H
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*/
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*/
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#ifndef QPMS_SCATSYSTEM_H
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#ifndef QPMS_SCATSYSTEM_H
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||||||
#define QPMS_SCATSYSTEM_H
|
#define QPMS_SCATSYSTEM_H
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||||||
|
#ifdef __cplusplus
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||||||
|
extern "C" {
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||||||
|
#endif
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|
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#include "qpms_types.h"
|
#include "qpms_types.h"
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||||||
#include "vswf.h"
|
#include "vswf.h"
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||||||
#include "tmatrices.h"
|
#include "tmatrices.h"
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||||||
|
@ -919,4 +923,7 @@ ccart3_t qpms_scatsys_scattered_E_irrep(const qpms_scatsys_t *ss,
|
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);
|
);
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||||||
#endif
|
#endif
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||||||
|
|
||||||
|
#ifdef __cplusplus
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||||||
|
}
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||||||
|
#endif
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||||||
#endif //QPMS_SCATSYSTEM_H
|
#endif //QPMS_SCATSYSTEM_H
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||||||
|
|
|
@ -21,6 +21,10 @@
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||||||
*/
|
*/
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||||||
#ifndef SYMMETRIES_H
|
#ifndef SYMMETRIES_H
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||||||
#define SYMMETRIES_H
|
#define SYMMETRIES_H
|
||||||
|
#ifdef __cplusplus
|
||||||
|
extern "C" {
|
||||||
|
#endif
|
||||||
|
|
||||||
#include "qpms_types.h"
|
#include "qpms_types.h"
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||||||
#include <cblas.h>
|
#include <cblas.h>
|
||||||
|
|
||||||
|
@ -75,4 +79,8 @@ size_t qpms_zero_roundoff_clean(double *arr, size_t nmemb, double atol);
|
||||||
* TODO doc.
|
* TODO doc.
|
||||||
*/
|
*/
|
||||||
size_t qpms_czero_roundoff_clean(_Complex double *arr, size_t nmemb, double atol);
|
size_t qpms_czero_roundoff_clean(_Complex double *arr, size_t nmemb, double atol);
|
||||||
|
|
||||||
|
#ifdef __cplusplus
|
||||||
|
}
|
||||||
|
#endif
|
||||||
#endif // SYMMETRIES_H
|
#endif // SYMMETRIES_H
|
||||||
|
|
|
@ -3,6 +3,10 @@
|
||||||
*/
|
*/
|
||||||
#ifndef TMATRICES_H
|
#ifndef TMATRICES_H
|
||||||
#define TMATRICES_H
|
#define TMATRICES_H
|
||||||
|
#ifdef __cplusplus
|
||||||
|
extern "C" {
|
||||||
|
#endif
|
||||||
|
|
||||||
// #include "qpms_types.h" // included via materials.h
|
// #include "qpms_types.h" // included via materials.h
|
||||||
// #include <gsl/gsl_spline.h> // included via materials.h
|
// #include <gsl/gsl_spline.h> // included via materials.h
|
||||||
#include "materials.h"
|
#include "materials.h"
|
||||||
|
@ -689,4 +693,7 @@ typedef struct qpms_abstract_particle_t {
|
||||||
typedef qpms_particle_tid_t qpms_abstract_particle_tid_t;
|
typedef qpms_particle_tid_t qpms_abstract_particle_tid_t;
|
||||||
#endif // 0
|
#endif // 0
|
||||||
|
|
||||||
|
#ifdef __cplusplus
|
||||||
|
}
|
||||||
|
#endif
|
||||||
#endif //TMATRICES_H
|
#endif //TMATRICES_H
|
||||||
|
|
|
@ -1,6 +1,9 @@
|
||||||
/*! \file tolerances.h */
|
/*! \file tolerances.h */
|
||||||
#ifndef QPMS_TOLERANCES_H
|
#ifndef QPMS_TOLERANCES_H
|
||||||
#define QPMS_TOLERANCES_H
|
#define QPMS_TOLERANCES_H
|
||||||
|
#ifdef __cplusplus
|
||||||
|
extern "C" {
|
||||||
|
#endif
|
||||||
|
|
||||||
// TODO DOC
|
// TODO DOC
|
||||||
|
|
||||||
|
@ -12,4 +15,7 @@ typedef struct qpms_tolerance_spec_t {
|
||||||
/// A rather arbitrary default tolerance.
|
/// A rather arbitrary default tolerance.
|
||||||
static const qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT = {.atol = 1e-9, .rtol = 1e-8};
|
static const qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT = {.atol = 1e-9, .rtol = 1e-8};
|
||||||
|
|
||||||
|
#ifdef __cplusplus
|
||||||
|
}
|
||||||
|
#endif
|
||||||
#endif // QPMS_TOLERANCES_H
|
#endif // QPMS_TOLERANCES_H
|
||||||
|
|
|
@ -26,6 +26,10 @@
|
||||||
*/
|
*/
|
||||||
#ifndef QPMS_TRANSLATIONS_H
|
#ifndef QPMS_TRANSLATIONS_H
|
||||||
#define QPMS_TRANSLATIONS_H
|
#define QPMS_TRANSLATIONS_H
|
||||||
|
#ifdef __cplusplus
|
||||||
|
extern "C" {
|
||||||
|
#endif
|
||||||
|
|
||||||
#include "vectors.h"
|
#include "vectors.h"
|
||||||
#include "qpms_types.h"
|
#include "qpms_types.h"
|
||||||
#include <stdbool.h>
|
#include <stdbool.h>
|
||||||
|
@ -243,4 +247,7 @@ int qpms_cython_trans_calculator_get_AB_arrays_loop(
|
||||||
#endif //QPMS_COMPILE_PYTHON_EXTENSIONS
|
#endif //QPMS_COMPILE_PYTHON_EXTENSIONS
|
||||||
|
|
||||||
|
|
||||||
|
#ifdef __cplusplus
|
||||||
|
}
|
||||||
|
#endif
|
||||||
#endif // QPMS_TRANSLATIONS_H
|
#endif // QPMS_TRANSLATIONS_H
|
||||||
|
|
|
@ -7,6 +7,10 @@
|
||||||
*/
|
*/
|
||||||
#ifndef QPMS_VSWF_H
|
#ifndef QPMS_VSWF_H
|
||||||
#define QPMS_VSWF_H
|
#define QPMS_VSWF_H
|
||||||
|
#ifdef __cplusplus
|
||||||
|
extern "C" {
|
||||||
|
#endif
|
||||||
|
|
||||||
#include <unistd.h> // ssize_t
|
#include <unistd.h> // ssize_t
|
||||||
#include "qpms_types.h"
|
#include "qpms_types.h"
|
||||||
#include <gsl/gsl_sf_legendre.h>
|
#include <gsl/gsl_sf_legendre.h>
|
||||||
|
@ -246,4 +250,7 @@ qpms_vswfset_sph_t *qpms_vswfset_make(qpms_l_t lMax, sph_t kdlj,
|
||||||
qpms_bessel_t btyp, qpms_normalisation_t norm);//NI
|
qpms_bessel_t btyp, qpms_normalisation_t norm);//NI
|
||||||
void qpms_vswfset_sph_pfree(qpms_vswfset_sph_t *);//NI
|
void qpms_vswfset_sph_pfree(qpms_vswfset_sph_t *);//NI
|
||||||
|
|
||||||
|
#ifdef __cplusplus
|
||||||
|
}
|
||||||
|
#endif
|
||||||
#endif // QPMS_VSWF_H
|
#endif // QPMS_VSWF_H
|
||||||
|
|
Loading…
Reference in New Issue