Fix besselbuf sizes, start implementing short-range parts.
Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
This commit is contained in:
Marek Nečada
parent
51d354985f
commit
8bf9a1c54d
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@ -500,6 +500,9 @@ void qpms_trans_calculator_free(qpms_trans_calculator *c) {
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free(c->A_multipliers);
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free(c->B_multipliers[0]);
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free(c->B_multipliers);
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#ifdef LATTICESUMS
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free(c->hct);
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#endif
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free(c);
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}
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@ -908,6 +911,9 @@ qpms_trans_calculator
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}
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free(qmaxes);
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#ifdef LATTICESUMS
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c->hct = hankelcoefftable_init(2*lMax+1);
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#endif
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return c;
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}
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@ -1005,7 +1011,7 @@ complex double qpms_trans_calculator_get_B_buf(const qpms_trans_calculator *c,
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double costheta = cos(kdlj.theta);
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if (gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,n+nu+1,
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costheta,csphase,legendre_buf)) abort();
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if (qpms_sph_bessel_fill(J, n+nu+2, kdlj.r, bessel_buf)) abort();
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if (qpms_sph_bessel_fill(J, n+nu+1, kdlj.r, bessel_buf)) abort();
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return qpms_trans_calculator_get_B_precalcbuf(c,m,n,mu,nu,
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kdlj,r_ge_d,J,bessel_buf,legendre_buf);
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}
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@ -1039,7 +1045,7 @@ int qpms_trans_calculator_get_AB_buf_p(const qpms_trans_calculator *c,
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double costheta = cos(kdlj.theta);
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if (gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,n+nu+1,
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costheta,-1,legendre_buf)) abort();
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if (qpms_sph_bessel_fill(J, n+nu+2, kdlj.r, bessel_buf)) abort();
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if (qpms_sph_bessel_fill(J, n+nu+1, kdlj.r, bessel_buf)) abort();
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*Adest = qpms_trans_calculator_get_A_precalcbuf(c,m,n,mu,nu,
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kdlj,r_ge_d,J,bessel_buf,legendre_buf);
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*Bdest = qpms_trans_calculator_get_B_precalcbuf(c,m,n,mu,nu,
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@ -1077,7 +1083,7 @@ int qpms_trans_calculator_get_AB_arrays_buf(const qpms_trans_calculator *c,
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double costheta = cos(kdlj.theta);
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if (gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,2*c->lMax+1,
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costheta,-1,legendre_buf)) abort();
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if (qpms_sph_bessel_fill(J, 2*c->lMax+2, kdlj.r, bessel_buf)) abort();
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if (qpms_sph_bessel_fill(J, 2*c->lMax+1, kdlj.r, bessel_buf)) abort();
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size_t desti = 0, srci = 0;
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for (int n = 1; n <= c->lMax; ++n) for (int m = -n; m <= n; ++m) {
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for (int nu = 1; nu <= c->lMax; ++nu) for (int mu = -nu; mu <= nu; ++mu) {
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@ -1107,7 +1113,7 @@ complex double qpms_trans_calculator_get_A(const qpms_trans_calculator *c,
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int m, int n, int mu, int nu, sph_t kdlj,
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bool r_ge_d, qpms_bessel_t J) {
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double leg[gsl_sf_legendre_array_n(n+nu)];
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complex double bes[n+nu+1];
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complex double bes[n+nu+1]; // maximum order is 2n for A coeffs, plus the zeroth.
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return qpms_trans_calculator_get_A_buf(c,m,n,mu,nu,kdlj,r_ge_d,J,
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bes,leg);
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}
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@ -1116,7 +1122,7 @@ complex double qpms_trans_calculator_get_B(const qpms_trans_calculator *c,
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int m, int n, int mu, int nu, sph_t kdlj,
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bool r_ge_d, qpms_bessel_t J) {
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double leg[gsl_sf_legendre_array_n(n+nu+1)];
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complex double bes[n+nu+2];
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complex double bes[n+nu+2]; // maximum order is 2n+1 for B coeffs, plus the zeroth.
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return qpms_trans_calculator_get_B_buf(c,m,n,mu,nu,kdlj,r_ge_d,J,
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bes,leg);
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}
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@ -1126,7 +1132,7 @@ int qpms_trans_calculator_get_AB_p(const qpms_trans_calculator *c,
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int m, int n, int mu, int nu, sph_t kdlj,
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bool r_ge_d, qpms_bessel_t J) {
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double leg[gsl_sf_legendre_array_n(2*c->lMax+1)];
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complex double bes[2*c->lMax+3]; // TODO check lMax
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complex double bes[2*c->lMax+2]; // maximum order is 2n+1 for B coeffs, plus the zeroth.
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return qpms_trans_calculator_get_AB_buf_p(c,Adest, Bdest,m,n,mu,nu,kdlj,r_ge_d,J,
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bes,leg);
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}
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@ -1136,7 +1142,7 @@ int qpms_trans_calculator_get_AB_arrays(const qpms_trans_calculator *c,
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size_t deststride, size_t srcstride,
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sph_t kdlj, bool r_ge_d, qpms_bessel_t J) {
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double leg[gsl_sf_legendre_array_n(c->lMax+c->lMax+1)];
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complex double bes[2*c->lMax+3]; // TODO check lMax
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complex double bes[2*c->lMax+2]; // maximum order is 2n+1 for B coeffs, plus the zeroth.
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return qpms_trans_calculator_get_AB_arrays_buf(c,
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Adest, Bdest, deststride, srcstride,
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kdlj, r_ge_d, J,
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@ -1144,6 +1150,141 @@ int qpms_trans_calculator_get_AB_arrays(const qpms_trans_calculator *c,
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}
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#ifdef LATTICESUMS
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int qpms_trans_calculator_get_shortrange_AB_arrays_buf(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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size_t deststride, size_t srcstride,
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sph_t kdlj, qpms_bessel_t J,
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qpms_l_t lrcutoff, unsigned kappa, double c, // regularisation params
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complex double *bessel_buf, double *legendre_buf,
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) {
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assert(J == QPMS_HANKEL_PLUS); // support only J == 3 for now
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if (0 == kdlj.r && J != QPMS_BESSEL_REGULAR) {
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for (size_t i = 0; i < c->nelem; ++i)
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for (size_t j = 0; j < c->nelem; ++j) {
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*(Adest + i*srcstride + j*deststride) = NAN+I*NAN;
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*(Bdest + i*srcstride + j*deststride) = NAN+I*NAN;
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}
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// TODO warn? different return value?
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return 0;
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}
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switch(qpms_normalisation_t_normonly(c->normalisation)) {
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case QPMS_NORMALISATION_TAYLOR:
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case QPMS_NORMALISATION_POWER:
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//case QPMS_NORMALISATION_NONE: // I am not sure the Hankel transform work the same way for unnormalised waves, so disallow for now
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{
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double costheta = cos(kdlj.theta);
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if (gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,2*c->lMax+1,
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costheta,-1,legendre_buf)) abort();
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// if (qpms_sph_bessel_fill(J, 2*c->lMax+1, kdlj.r, bessel_buf)) abort(); // original
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hankelparts_fill(NULL, bessel_buf, 2*c->lMax+1, lrcutoff, c->hct, kappa, c, kdlj.r);
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size_t desti = 0, srci = 0;
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for (int n = 1; n <= c->lMax; ++n) for (int m = -n; m <= n; ++m) {
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for (int nu = 1; nu <= c->lMax; ++nu) for (int mu = -nu; mu <= nu; ++mu) {
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size_t assertindex = qpms_trans_calculator_index_mnmunu(c,m,n,mu,nu);
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assert(assertindex == desti*c->nelem + srci);
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*(Adest + deststride * desti + srcstride * srci) =
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qpms_trans_calculator_get_A_precalcbuf(c,m,n,mu,nu,
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kdlj,false,J,bessel_buf,legendre_buf);
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*(Bdest + deststride * desti + srcstride * srci) =
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qpms_trans_calculator_get_B_precalcbuf(c,m,n,mu,nu,
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kdlj,false,J,bessel_buf,legendre_buf);
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++srci;
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}
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++desti;
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srci = 0;
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}
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return 0;
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}
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break;
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default:
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abort();
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}
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assert(0);
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}
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int qpms_trans_calculator_get_shortrange_AB_buf_p(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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int m, int n, int mu, int nu, sph_t kdlj,
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qpms_bessel_t J,
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qpms_l_t lrcutoff, unsigned kappa, double c, // regularisation params
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complex double *bessel_buf, double *legendre_buf) {
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assert(J == QPMS_HANKEL_PLUS); // support only J == 3 for now
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if (0 == kdlj.r && J != QPMS_BESSEL_REGULAR) {
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*Adest = NAN+I*NAN;
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*Bdest = NAN+I*NAN;
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// TODO warn? different return value?
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return 0;
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}
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switch(qpms_normalisation_t_normonly(c->normalisation)) {
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case QPMS_NORMALISATION_TAYLOR:
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case QPMS_NORMALISATION_KRISTENSSON:
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// case QPMS_NORMALISATION_NONE: // Not sure if it would work, so disable for now
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{
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double costheta = cos(kdlj.theta);
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if (gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,n+nu+1,
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costheta,-1,legendre_buf)) abort();
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//if (qpms_sph_bessel_fill(J, n+nu+1, kdlj.r, bessel_buf)) abort(); // original
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hankelparts_fill(NULL, bessel_buf, 2*c->lMax+1, lrcutoff, c->hct, kappa, c, kdlj.r);
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*Adest = qpms_trans_calculator_get_A_precalcbuf(c,m,n,mu,nu,
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kdlj,r_ge_d,J,bessel_buf,legendre_buf);
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*Bdest = qpms_trans_calculator_get_B_precalcbuf(c,m,n,mu,nu,
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kdlj,r_ge_d,J,bessel_buf,legendre_buf);
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return 0;
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}
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break;
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default:
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abort();
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}
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assert(0);
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}
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// Short-range parts of the translation coefficients
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int qpms_trans_calculator_get_shortrange_AB_p(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, sph_t kdlj,
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qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t lrcutoff, unsigned kappa, double c) {
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double leg[gsl_sf_legendre_array_n(2*c->lMax+1)];
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complex double bes[2*c->lMax+2]; // maximum order is 2n+1 for B coeffs, plus the zeroth.
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return qpms_trans_calculator_get_shortrange_AB_buf_p(c,Adest, Bdest,m,n,mu,nu,kdlj,J,
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lrcutoff, kappa, c,
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bes, leg);
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}
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int qpms_trans_calculator_get_shortrange_AB_arrays(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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size_t deststride, size_t srcstride,
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sph_t kdlj, qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t lrcutoff, unsigned kappa, double c) {
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double leg[gsl_sf_legendre_array_n(c->lMax+c->lMax+1)];
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complex double bes[2*c->lMax+2]; // maximum order is 2n+1 for B coeffs, plus the zeroth.
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return qpms_trans_calculator_get_AB_arrays_buf(c,
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Adest, Bdest, deststride, srcstride,
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kdlj, J,
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lrcutoff, kappa, c,
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bes, leg);
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}
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// Fourier transforms of the long-range parts of the translation coefficients
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int qpms_trans_calculator_get_Fourier_longrange_AB_p(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, sph_t k_sph,
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qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t lrcutoff, unsigned kappa, double cv, double k0) {
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TODO;
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}
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int qpms_trans_calculator_get_Fourier_longrange_AB_arrays(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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size_t deststride, size_t srcstride,
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sph_t k_sph, qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t lrcutoff, unsigned kappa, double cv, double k0) {
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TODO;
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}
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#endif // LATTICESUMS
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complex double qpms_trans_calculator_get_A_ext(const qpms_trans_calculator *c,
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int m, int n, int mu, int nu,
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@ -6,6 +6,10 @@
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#include <stdbool.h>
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#include <stddef.h>
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#ifdef LATTICESUMS
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#include "bessels.h"
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#endif
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// TODO replace the xplicit "Taylor" functions with general,
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// taking qpms_normalisation_t argument.
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complex double qpms_trans_single_A_Taylor(qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, sph_t kdlj,
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@ -41,8 +45,12 @@ typedef struct qpms_trans_calculator {
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// Spherical Bessel function coefficients:
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// TODO
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#endif
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#ifdef LATTICESUMS
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complex double *hct; // Hankel function coefficient table
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#endif
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} qpms_trans_calculator;
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qpms_trans_calculator *qpms_trans_calculator_init(qpms_l_t lMax, qpms_normalisation_t nt);
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void qpms_trans_calculator_free(qpms_trans_calculator *);
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@ -82,6 +90,35 @@ int qpms_trans_calculator_get_AB_arrays_ext(const qpms_trans_calculator *c,
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double kdlj_r, double kdlj_theta, double kdlj_phi,
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int r_ge_d, int J);
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#ifdef LATTICESUMS
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// Short-range parts of the translation coefficients
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int qpms_trans_calculator_get_shortrange_AB_p(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, sph_t kdlj,
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qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t longrange_order_cutoff, unsigned kappa, double c);
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int qpms_trans_calculator_get_shortrange_AB_arrays(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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size_t deststride, size_t srcstride,
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sph_t kdlj, qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t longrange_order_cutoff, unsigned kappa, double c);
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// Fourier transforms of the long-range parts of the translation coefficients
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int qpms_trans_calculator_get_Fourier_longrange_AB_p(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, sph_t k_sph,
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qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t longrange_order_cutoff, unsigned kappa, double cv, double k0);
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int qpms_trans_calculator_get_Fourier_longrange_AB_arrays(const qpms_trans_calculator *c,
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complex double *Adest, complex double *Bdest,
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size_t deststride, size_t srcstride,
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sph_t k_sph, qpms_bessel_t J /* Only J=3 valid for now */,
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qpms_l_t longrange_order_cutoff, unsigned kappa, double cv, double k0);
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#endif // LATTICESUMS
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#ifdef QPMS_COMPILE_PYTHON_EXTENSIONS
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#include <Python.h>
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#include <numpy/npy_common.h>
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