diff --git a/qpms/ewald.h b/qpms/ewald.h index 34e6ee7..0656157 100644 --- a/qpms/ewald.h +++ b/qpms/ewald.h @@ -1,10 +1,13 @@ #ifndef EWALD_H #define EWALD_H #include +#include +#include #include #include // for inlined lilgamma #include #include "qpms_types.h" +#include "lattices.h" /* * Implementation of two-dimensional lattice sum in three dimensions @@ -43,10 +46,10 @@ typedef struct { double *legendre0; /* now with GSL_SF_LEGENDRE_NONE normalisation, because this is what is * what the multipliers from translations.c count with. */ - gsl_sf_legendre_t legendre_normconv; double *legendre_plus1; // needed? TODO; in any case, nonzero only for m=0 double *legendre_minus1; // needed? TODO; in any case, nonzero only for m=0 - int legendre0_csphase; /* 1 or -1; csphase of the Legendre polynomials saved in legendre0. + gsl_sf_legendre_t legendre_normconv; + int legendre_csphase; /* 1 or -1; csphase of the Legendre polynomials saved in legendre0 etc. This is because I dont't actually consider this fixed in translations.c */ @@ -104,7 +107,7 @@ int ewald3_sigma_short( double *target_sigmasr_y_err, // must be c->nelem_sc long or NULL const qpms_ewald32_constants_t *c, const double eta, const double k, - const LatticeDimesionality latdim, // apart from asserts and possible optimisations ignored, as the SR formula stays the same + const LatticeDimensionality latdim, // apart from asserts and possible optimisations ignored, as the SR formula stays the same PGenSph *pgen_R, const bool pgen_generates_shifted_points /* If false, the behaviour corresponds to the old ewald32_sigma_short_points_and_shift, * so the function assumes that the generated points correspond to the unshifted Bravais lattice, @@ -122,7 +125,7 @@ int ewald3_sigma_long( // calls ewald3_21_sigma_long or ewald3_3_sigma_long, dep const qpms_ewald32_constants_t *c, const double eta, const double k, const double unitcell_volume /* with the corresponding lattice dimensionality */, - const LatticeDimesionality latdim, + const LatticeDimensionality latdim, PGenSph *pgen_K, const bool pgen_generates_shifted_points /* If false, the behaviour corresponds to the old ewald32_sigma_long_points_and_shift, * so the function assumes that the generated points correspond to the unshifted reciprocal Bravais lattice,