ngsolve 6.2.2501.post48.dev1__cp39-cp39-macosx_10_15_universal2.whl → 6.2.2501.post70.dev1__cp39-cp39-macosx_10_15_universal2.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
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- netgen/include/ectypes.hpp +121 -0
- netgen/include/h1lofe.hpp +3 -0
- netgen/include/mptools.hpp +88 -1136
- netgen/include/ngblas.hpp +11 -1
- netgen/include/vector.hpp +8 -0
- netgen/libngbla.dylib +0 -0
- netgen/libngcomp.dylib +0 -0
- netgen/libngfem.dylib +0 -0
- netgen/libngla.dylib +0 -0
- netgen/libngstd.dylib +0 -0
- ngsolve/cmake/NGSolveConfig.cmake +1 -1
- ngsolve/config/config.py +5 -5
- {ngsolve-6.2.2501.post48.dev1.dist-info → ngsolve-6.2.2501.post70.dev1.dist-info}/METADATA +2 -2
- {ngsolve-6.2.2501.post48.dev1.dist-info → ngsolve-6.2.2501.post70.dev1.dist-info}/RECORD +50 -49
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/Netgen.icns +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/bin/ngscxx +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/bin/ngsld +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/bin/ngsolve.tcl +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/bin/ngspy +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/beam.geo +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/beam.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/chip.in2d +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/chip.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/coil.geo +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/coil.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/coilshield.geo +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/coilshield.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/cube.geo +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/cube.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d10_DGdoubleglazing.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d11_chip_nitsche.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d1_square.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d2_chip.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d3_helmholtz.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d4_cube.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d5_beam.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d6_shaft.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d7_coil.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d8_coilshield.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/d9_hybridDG.pde +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/doubleglazing.in2d +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/doubleglazing.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/piezo2d40round4.vol.gz +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/shaft.geo +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/shaft.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/square.in2d +0 -0
- {ngsolve-6.2.2501.post48.dev1.data → ngsolve-6.2.2501.post70.dev1.data}/data/share/ngsolve/square.vol +0 -0
- {ngsolve-6.2.2501.post48.dev1.dist-info → ngsolve-6.2.2501.post70.dev1.dist-info}/LICENSE +0 -0
- {ngsolve-6.2.2501.post48.dev1.dist-info → ngsolve-6.2.2501.post70.dev1.dist-info}/WHEEL +0 -0
- {ngsolve-6.2.2501.post48.dev1.dist-info → ngsolve-6.2.2501.post70.dev1.dist-info}/top_level.txt +0 -0
netgen/include/mptools.hpp
CHANGED
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@@ -8,14 +8,14 @@
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#include <bla.hpp>
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#include <coefficient.hpp>
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#include <recursive_pol.hpp>
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namespace ngfem
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{
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class SphericalHarmonics
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class NGS_DLL_HEADER SphericalHarmonics
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{
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int order;
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Vector<Complex> coefs;
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auto CoefsN (int n) const
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{
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return
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return coefs.RangeN(n*n, 2*n+1);
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}
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static std::tuple<double,double> Polar (Vec<3> x)
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{
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double phi, theta;
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if (x(0) == 0 && x(1) == 0)
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phi = atan2(x(1), x(0));
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theta = acos(x(2)/L2Norm(x));
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}
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return
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return { theta, phi };
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}
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Complex Eval (Vec<3> x) const
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return Eval(theta, phi);
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}
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Complex Eval (double theta, double phi) const
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{
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static Timer t("mptool sh evaluate"); RegionTimer rg(t);
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Matrix legfunc(order+1, order+1);
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NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
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Vector<Complex> exp_imphi(order+1);
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Complex exp_iphi(cos(phi), sin(phi));
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Complex prod = 1.0;
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for (int i = 0; i <= order; i++)
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{
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exp_imphi(i) = prod;
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prod *= -exp_iphi;
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}
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Complex sum = 0.0;
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int ii = 0;
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for (int n = 0; n <= order; n++)
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{
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for (int m = -n; m < 0; m++, ii++)
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sum += coefs(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
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for (int m = 0; m <= n; m++, ii++)
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sum += coefs(ii) * exp_imphi(m) * legfunc(m, n);
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}
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sum /= sqrt(4*M_PI);
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return sum;
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}
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Complex Eval (double theta, double phi) const;
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Complex EvalOrder (int n, Vec<3> x) const
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return EvalOrder(n, theta, phi);
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}
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Complex EvalOrder (int n, double theta, double phi) const
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{
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static Timer t("mptool sh evalorder");
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RegionTimer rg(t);
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Matrix legfunc(order+1, order+1);
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NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
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Vector<Complex> exp_imphi(order+1);
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Complex exp_iphi(cos(phi), sin(phi));
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Complex prod = 1.0;
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{
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exp_imphi(i) = prod;
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prod *= -exp_iphi;
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}
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auto coefsn = CoefsN(n);
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int ii = 0;
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// for (int n = 0; n <= order; n++)
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{
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for (int m = -n; m < 0; m++, ii++)
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sum += coefsn(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
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for (int m = 0; m <= n; m++, ii++)
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sum += coefsn(ii) * exp_imphi(m) * legfunc(m, n);
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}
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sum /= sqrt(4*M_PI);
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return sum;
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}
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Complex EvalOrder (int n, double theta, double phi) const;
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void EvalOrders (Vec<3> x, FlatVector<Complex> vals) const
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return EvalOrders(theta, phi, vals);
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void EvalOrders (double theta, double phi, FlatVector<Complex> vals) const
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{
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static Timer ts("mptool sh evalorders small");
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static Timer tl("mptool sh evalorders large");
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// RegionTimer rg(order < 30 ? ts : tl);
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// if (order > 30) tl.Start();
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Matrix legfunc(order+1, order+1);
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NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
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Vector<Complex> exp_imphi(order+1);
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Complex exp_iphi(cos(phi), sin(phi));
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Complex prod = 1.0;
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for (int i = 0; i <= order; i++)
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{
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exp_imphi(i) = prod;
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prod *= -exp_iphi;
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}
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{
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auto coefsn = CoefsN(n);
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int ii = 0;
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Complex sum = 0.0;
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sum += coefsn(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
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for (int m = 0; m <= n; m++, ii++)
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sum += coefsn(ii) * exp_imphi(m) * legfunc(m, n);
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vals(n) = sum;
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}
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vals /= sqrt(4*M_PI);
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}
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void Calc (Vec<3> x, FlatVector<Complex> shapes)
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{
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auto [theta, phi] = Polar(x);
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NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
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Vector<Complex> exp_imphi(order+1);
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Complex exp_iphi(cos(phi), sin(phi));
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Complex prod = 1.0;
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{
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exp_imphi(i) = prod;
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prod *= -exp_iphi;
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}
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for (int n = 0; n <= order; n++)
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{
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shapes(ii) = conj(exp_imphi(-m)) * legfunc(-m, n);
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shapes(ii) = exp_imphi(m) * legfunc(m, n);
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}
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shapes /= sqrt(4*M_PI);
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void EvalOrders (double theta, double phi, FlatVector<Complex> vals) const;
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void
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{
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// static Timer t("mptool sh RotateZ"); RegionTimer rg(t);
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Vector<Complex> exp_imalpha(order+1);
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Complex exp_ialpha(cos(alpha), sin(alpha));
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exp_imalpha(i) = prod;
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prod *= exp_ialpha;
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}
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{
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coefs(ii) *= conj(exp_imalpha(-m));
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coefs(ii) *= exp_imalpha(m);
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}
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}
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void Calc (Vec<3> x, FlatVector<Complex> shapes);
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void RotateZ (double alpha);
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void RotateY (double alpha);
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static double CalcAmn (int m, int n)
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if (m < 0) m=-m;
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return sgn/2 * sqrt((n-m)*(n+m+1));
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}
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LocalHeap lh(8*6*sqr(order) + 8*15*order + 500);
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static Timer t("mptool sh RotateY"); RegionTimer rg(t);
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double s = sin(alpha);
|
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260
|
-
double c = cos(alpha);
|
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261
|
-
|
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262
|
-
FlatMatrix<> normalized_leg_func(order+2, order+2, lh);
|
|
263
|
-
NormalizedLegendreFunctions(order+1, order+1, c, normalized_leg_func);
|
|
264
|
-
|
|
265
|
-
if (alpha < 0)
|
|
266
|
-
for (int i = 1; i <= order+1; i+=2)
|
|
267
|
-
normalized_leg_func.Row(i) *= -1;
|
|
268
|
-
|
|
269
|
-
// cout << "leg = " << endl << normalized_leg_func << endl;
|
|
270
|
-
FlatVector<> Dmn(2*order+1, lh);
|
|
271
|
-
|
|
272
|
-
for (int n=1; n <= order; n++)
|
|
273
|
-
{
|
|
274
|
-
HeapReset hr(lh);
|
|
275
|
-
|
|
276
|
-
FlatMatrix<double> trafo(n+1, 2*n+1, lh);
|
|
277
|
-
/*
|
|
278
|
-
Recursive Computation of Spherical Harmonic Rotation Coefficients of Large Degree
|
|
279
|
-
Nail A. Gumerov and Ramani Duraiswami
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280
|
-
within Excursions in Harmonic Analysis, Volume 3
|
|
281
|
-
|
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282
|
-
page 130
|
|
283
|
-
*/
|
|
284
|
-
|
|
285
|
-
// Step 2
|
|
286
|
-
// H(0,m)
|
|
287
|
-
trafo.Col(n) = 1.0/sqrt(2*n+1) * normalized_leg_func.Col(n).Range(n+1);
|
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288
|
-
for (int m = 1; m <= n; m += 2) trafo(m,n) *= -1;
|
|
289
|
-
// Step 3
|
|
290
|
-
// H(1,m)
|
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291
|
-
FlatVector<double> tmp = 1.0/sqrt(2*n+3) * normalized_leg_func.Col(n+1).Range(n+2) | lh;
|
|
292
|
-
for (int m = 1; m < tmp.Size(); m += 2) tmp(m) *= -1;
|
|
293
|
-
for (int m = 1; m <= n; m++)
|
|
294
|
-
trafo.Col(n+1)(m) = 1/CalcBmn(0,n+1) * ( CalcBmn(-m-1, n+1)*(1-c)/2 * tmp(m+1)
|
|
295
|
-
- CalcBmn(m-1,n+1)*(1+c)/2 * tmp(m-1)
|
|
296
|
-
- CalcAmn(m,n) * s*tmp(m));
|
|
297
|
-
|
|
298
|
-
// Step 4
|
|
299
|
-
// diamond - recursion
|
|
300
|
-
for (int mp = -n; mp <= n; mp++)
|
|
301
|
-
Dmn(order+mp) = CalcDmn(mp, n);
|
|
302
|
-
|
|
303
|
-
for (int mp = 1; mp < n; mp++)
|
|
304
|
-
{
|
|
305
|
-
double invDmn = 1.0 / Dmn(order+mp);
|
|
306
|
-
for (int m = mp; m < n; m++)
|
|
307
|
-
trafo(m, n+mp+1) = invDmn * ( Dmn(order+mp-1) *trafo(m ,n+mp-1)
|
|
308
|
-
-Dmn(order+m-1)*trafo(m-1,n+mp)
|
|
309
|
-
+Dmn(order+m) *trafo(m+1,n+mp));
|
|
310
|
-
int m = n;
|
|
311
|
-
trafo(m, n+mp+1) = invDmn * ( Dmn(order+mp-1,n)*trafo(m ,n+mp-1)
|
|
312
|
-
-Dmn(order+m-1,n)*trafo(m-1,n+mp));
|
|
313
|
-
}
|
|
314
|
-
|
|
315
|
-
// Step 5
|
|
316
|
-
// diamond - recursion, negative
|
|
317
|
-
for (int mp = 0; mp > -n; mp--)
|
|
318
|
-
{
|
|
319
|
-
double invDmn = 1.0 / Dmn(order+mp-1);
|
|
320
|
-
for (int m = -mp+1; m < n; m++)
|
|
321
|
-
trafo(m, n+mp-1) = invDmn * ( Dmn(order+mp,n)*trafo(m ,n+mp+1)
|
|
322
|
-
+Dmn(order+m-1,n)*trafo(m-1,n+mp)
|
|
323
|
-
-Dmn(order+m ,n)*trafo(m+1,n+mp));
|
|
324
|
-
int m = n;
|
|
325
|
-
trafo(m, n+mp-1) = invDmn * ( Dmn(order+mp,n)*trafo(m ,n+mp+1)
|
|
326
|
-
+Dmn(order+m-1,n)*trafo(m-1,n+mp));
|
|
327
|
-
}
|
|
328
|
-
// Step 6
|
|
329
|
-
// symmetries in m and mp
|
|
330
|
-
for (int m = 0; m <= n; m++)
|
|
331
|
-
{
|
|
332
|
-
auto dst = trafo.Row(m).Range(n+m, n+n+1);
|
|
333
|
-
auto src = trafo.Col(n+m).Range(m, n+1);
|
|
334
|
-
dst = src;
|
|
335
|
-
}
|
|
336
|
-
for (int m = 0; m <= n; m++)
|
|
337
|
-
{
|
|
338
|
-
auto dst = trafo.Row(m).Range(n-n, n-m+1).Reversed();
|
|
339
|
-
auto src = trafo.Col(n-m).Range(m, n+1);
|
|
340
|
-
dst = src;
|
|
341
|
-
}
|
|
342
|
-
/*
|
|
343
|
-
double errortho = L2Norm( Matrix(trafo*Trans(trafo) - Identity(n+1)));
|
|
344
|
-
if (errortho > 1e-10)
|
|
345
|
-
{
|
|
346
|
-
*testout << "n = " << n << " order = " << Order() << ", alpha = " << alpha << ", errortho = " << errortho << endl;
|
|
347
|
-
if (n < 10)
|
|
348
|
-
*testout << trafo*Trans(trafo) << endl;
|
|
349
|
-
}
|
|
350
|
-
*/
|
|
107
|
+
// Nail A. Gumerov and Ramani Duraiswami book, formula (2.2.12)
|
|
108
|
+
// add directional derivative divided by kappa to res, both multipoles need same scaling
|
|
109
|
+
void DirectionalDiffAdd (Vec<3> d, SphericalHarmonics & res, double scale = 1);
|
|
351
110
|
|
|
352
|
-
FlatVector<Complex> cn = CoefsN(n);
|
|
353
|
-
FlatVector<Complex> old = cn | lh;
|
|
354
|
-
|
|
355
|
-
cn = Trans(trafo) * old.Range(n, 2*n+1);
|
|
356
|
-
cn.Slice(0,1).Reversed() += Trans(trafo.Rows(1,n+1)) * old.Range(0,n).Reversed();
|
|
357
|
-
|
|
358
|
-
for (int m = 1; m <= n; m+=2)
|
|
359
|
-
{
|
|
360
|
-
cn(n+m) *= -1;
|
|
361
|
-
cn(n-m) *= -1;
|
|
362
|
-
}
|
|
363
|
-
}
|
|
364
|
-
}
|
|
365
|
-
|
|
366
111
|
};
|
|
367
112
|
|
|
368
113
|
|
|
369
114
|
// https://fortran-lang.discourse.group/t/looking-for-spherical-bessel-and-hankel-functions-of-first-and-second-kind-and-arbitrary-order/2308/2
|
|
115
|
+
NGS_DLL_HEADER
|
|
116
|
+
void besseljs3d (int nterms, double z, double scale,
|
|
117
|
+
FlatVector<double> fjs, FlatVector<double> fjder);
|
|
370
118
|
|
|
371
|
-
|
|
372
|
-
|
|
373
|
-
|
|
374
|
-
FlatVector<Tz> fjs, FlatVector<Tz> fjder)
|
|
375
|
-
{
|
|
376
|
-
/*
|
|
377
|
-
c**********************************************************************
|
|
378
|
-
c
|
|
379
|
-
c PURPOSE:
|
|
380
|
-
c
|
|
381
|
-
c This subroutine evaluates the first NTERMS spherical Bessel
|
|
382
|
-
c functions and if required, their derivatives.
|
|
383
|
-
c It incorporates a scaling parameter SCALE so that
|
|
384
|
-
c
|
|
385
|
-
c fjs_n(z)=j_n(z)/SCALE^n
|
|
386
|
-
c fjder_n(z)=\frac{\partial fjs_n(z)}{\partial z}
|
|
387
|
-
c
|
|
388
|
-
c INPUT:
|
|
389
|
-
c
|
|
390
|
-
c nterms (integer): order of expansion of output array fjs
|
|
391
|
-
c z (complex *16): argument of the spherical Bessel functions
|
|
392
|
-
c scale (real *8) : scaling factor (discussed above)
|
|
393
|
-
c ifder (integer): flag indicating whether to calculate "fjder"
|
|
394
|
-
c 0 NO
|
|
395
|
-
c 1 YES
|
|
396
|
-
c OUTPUT:
|
|
397
|
-
c fjs (complex *16): array of scaled Bessel functions.
|
|
398
|
-
c fjder (complex *16): array of derivs of scaled Bessel functions.
|
|
399
|
-
c
|
|
400
|
-
c
|
|
401
|
-
*/
|
|
119
|
+
NGS_DLL_HEADER
|
|
120
|
+
void besseljs3d (int nterms, Complex z, double scale,
|
|
121
|
+
FlatVector<Complex> fjs, FlatVector<Complex> fjder);
|
|
402
122
|
|
|
403
123
|
|
|
404
|
-
// c ... Initializing ...
|
|
405
|
-
|
|
406
|
-
// set to asymptotic values if argument is sufficiently small
|
|
407
|
-
if (abs(z) < 1e-200)
|
|
408
|
-
{
|
|
409
|
-
fjs(0) = 1;
|
|
410
|
-
for (int i = 1; i <= nterms; i++)
|
|
411
|
-
fjs(i) = 0.0;
|
|
412
|
-
|
|
413
|
-
if (fjder.Size())
|
|
414
|
-
{
|
|
415
|
-
fjder = 0.0;
|
|
416
|
-
fjder(1) = 1.0/(3*scale);
|
|
417
|
-
}
|
|
418
|
-
return;
|
|
419
|
-
}
|
|
420
|
-
|
|
421
|
-
|
|
422
|
-
// ... Step 1: recursion up to find ntop, starting from nterms
|
|
423
|
-
|
|
424
|
-
Tz zinv=1.0/z;
|
|
425
|
-
|
|
426
|
-
Tz fjm1 = 0.0;
|
|
427
|
-
Tz fj0 = 1.0;
|
|
428
|
-
|
|
429
|
-
/*
|
|
430
|
-
c
|
|
431
|
-
cc note max point for upward recurrence is
|
|
432
|
-
c hard coded to nterms + 1000,
|
|
433
|
-
c this might cause loss of accuracy for some
|
|
434
|
-
c arguments in the complex plane for large
|
|
435
|
-
c nterms. For example, it is a terrible idea
|
|
436
|
-
c to use this code for z>>nterms^2
|
|
437
|
-
*/
|
|
438
|
-
|
|
439
|
-
// int lwfjs = nterms + 100000;
|
|
440
|
-
int ntop = nterms+1000;
|
|
441
|
-
|
|
442
|
-
for (int i = nterms; ; i++)
|
|
443
|
-
{
|
|
444
|
-
double dcoef = 2*i+1.0;
|
|
445
|
-
Tz fj1 = dcoef*zinv*fj0-fjm1;
|
|
446
|
-
double dd = sqr(abs(fj1));
|
|
447
|
-
if (dd > 1e40)
|
|
448
|
-
{
|
|
449
|
-
ntop=i+1;
|
|
450
|
-
break;
|
|
451
|
-
}
|
|
452
|
-
fjm1 = fj0;
|
|
453
|
-
fj0 = fj1;
|
|
454
|
-
if (i > nterms+100000)
|
|
455
|
-
throw Exception("bessel failed 1");
|
|
456
|
-
}
|
|
457
|
-
|
|
458
|
-
Array<bool> iscale(ntop+1);
|
|
459
|
-
Vector<Tz> fjtmp(ntop+1);
|
|
460
|
-
|
|
461
|
-
/*
|
|
462
|
-
c ... Step 2: Recursion back down to generate the unscaled jfuns:
|
|
463
|
-
c if magnitude exceeds UPBOUND2, rescale and continue the
|
|
464
|
-
c recursion (saving the order at which rescaling occurred
|
|
465
|
-
c in array iscale.
|
|
466
|
-
*/
|
|
467
|
-
|
|
468
|
-
iscale = false;
|
|
469
|
-
|
|
470
|
-
fjtmp(ntop) = 0.0;
|
|
471
|
-
fjtmp(ntop-1) = 1.0;
|
|
472
|
-
for (int i = ntop-1; i>=1; i--)
|
|
473
|
-
{
|
|
474
|
-
double dcoef = 2*i+1.0;
|
|
475
|
-
fjtmp(i-1) = dcoef*zinv*fjtmp(i)-fjtmp(i+1);
|
|
476
|
-
double dd = sqr(abs(fjtmp(i-1)));
|
|
477
|
-
if (dd > 1e40)
|
|
478
|
-
{
|
|
479
|
-
fjtmp(i) *= 1e-40;
|
|
480
|
-
fjtmp(i-1) *= 1e-40;
|
|
481
|
-
iscale[i] = true;
|
|
482
|
-
}
|
|
483
|
-
}
|
|
484
|
-
|
|
485
|
-
/*
|
|
486
|
-
c
|
|
487
|
-
c ... Step 3: go back up to the top and make sure that all
|
|
488
|
-
c Bessel functions are scaled by the same factor
|
|
489
|
-
c (i.e. the net total of times rescaling was invoked
|
|
490
|
-
c on the way down in the previous loop).
|
|
491
|
-
c At the same time, add scaling to fjs array.
|
|
492
|
-
c
|
|
493
|
-
*/
|
|
494
|
-
|
|
495
|
-
double scalinv = 1.0/scale;
|
|
496
|
-
double sctot = 1.0;
|
|
497
|
-
for (int i = 1; i <= ntop; i++)
|
|
498
|
-
{
|
|
499
|
-
sctot *= scalinv;
|
|
500
|
-
if (iscale[i-1])
|
|
501
|
-
sctot *= 1e-40;
|
|
502
|
-
fjtmp(i) *= sctot;
|
|
503
|
-
}
|
|
504
|
-
|
|
505
|
-
// Determine the normalization parameter:
|
|
506
|
-
|
|
507
|
-
fj0=sin(z)*zinv;
|
|
508
|
-
Tz fj1=fj0*zinv-cos(z)*zinv;
|
|
509
|
-
|
|
510
|
-
double d0=abs(fj0);
|
|
511
|
-
double d1=abs(fj1);
|
|
512
|
-
Tz zscale;
|
|
513
|
-
if (d1 > d0)
|
|
514
|
-
zscale=fj1/(fjtmp(1)*scale);
|
|
515
|
-
else
|
|
516
|
-
zscale=fj0/fjtmp(0);
|
|
517
|
-
|
|
518
|
-
// Scale the jfuns by zscale:
|
|
519
|
-
|
|
520
|
-
Tz ztmp=zscale;
|
|
521
|
-
for (int i = 0; i <= nterms; i++)
|
|
522
|
-
fjs(i)=fjtmp(i)*ztmp;
|
|
523
|
-
|
|
524
|
-
|
|
525
|
-
// Finally, calculate the derivatives if desired:
|
|
526
|
-
|
|
527
|
-
if (fjder.Size())
|
|
528
|
-
{
|
|
529
|
-
fjder(0) = -fjs(1)*scale;
|
|
530
|
-
for (int i = 1; i <= nterms; i++)
|
|
531
|
-
{
|
|
532
|
-
double dc1=i/(2*i+1.0);
|
|
533
|
-
double dc2=1.0-dc1;
|
|
534
|
-
dc1=dc1*scalinv;
|
|
535
|
-
dc2=dc2*scale;
|
|
536
|
-
fjder(i)=(dc1*fjtmp(i-1)-dc2*fjtmp(i+1))*ztmp;
|
|
537
|
-
}
|
|
538
|
-
}
|
|
539
|
-
}
|
|
540
|
-
|
|
541
|
-
|
|
542
|
-
|
|
543
|
-
|
|
544
124
|
/*
|
|
545
|
-
// from A. Barnett
|
|
546
|
-
// http://www.fresco.org.uk/functions/barnett/index.htm
|
|
547
|
-
|
|
548
125
|
spherical bessel functions of first (the j_n) and second (the y_n) kind.
|
|
549
|
-
|
|
126
|
+
|
|
550
127
|
j0(r) = sin(r)/r
|
|
551
128
|
j1(r) = (sin(r)-r cos(r)) / r**2
|
|
552
129
|
|
|
553
130
|
y0(r) = -cos(r)/r
|
|
554
131
|
y1(r) = (-cos(r)-r*sin(r)) / r**2
|
|
555
132
|
*/
|
|
133
|
+
NGS_DLL_HEADER
|
|
556
134
|
void SBESJY (double x, int lmax,
|
|
557
135
|
FlatVector<double> j,
|
|
558
136
|
FlatVector<double> y,
|
|
559
137
|
FlatVector<double> jp,
|
|
560
|
-
FlatVector<double> yp)
|
|
561
|
-
{
|
|
562
|
-
if (x < 1e-8)
|
|
563
|
-
{
|
|
564
|
-
cout << "TODO: special treatment for small x" << endl;
|
|
565
|
-
return;
|
|
566
|
-
}
|
|
567
|
-
|
|
568
|
-
double xinv = 1/x;
|
|
569
|
-
|
|
570
|
-
if (lmax > 0)
|
|
571
|
-
{
|
|
572
|
-
double twoxi = 2*xinv;
|
|
573
|
-
double sl = lmax*xinv;
|
|
574
|
-
double tk = 2*sl+3*xinv;
|
|
575
|
-
double cf1 = sl;
|
|
576
|
-
double den = 1;
|
|
577
|
-
if (abs(cf1) < 1e-8) cf1 = 1e-8;
|
|
578
|
-
double c = cf1;
|
|
579
|
-
double d = 0;
|
|
580
|
-
for (int l = 1; l < 10000; l++)
|
|
581
|
-
{
|
|
582
|
-
c = tk-1/c;
|
|
583
|
-
d = tk-d;
|
|
584
|
-
if (abs(c) < 1e-8) c = 1e-8;
|
|
585
|
-
if (abs(d) < 1e-8) d = 1e-8;
|
|
586
|
-
d = 1/d;
|
|
587
|
-
double dcf1 = d*c;
|
|
588
|
-
cf1 *= dcf1;
|
|
589
|
-
if (d < 0) den = -den;
|
|
590
|
-
if (abs(dcf1-1) < 1e-10)
|
|
591
|
-
break;
|
|
592
|
-
tk += twoxi;
|
|
593
|
-
// nfp = l;
|
|
594
|
-
}
|
|
595
|
-
|
|
596
|
-
j(lmax) = den;
|
|
597
|
-
jp(lmax) = cf1*den;
|
|
598
|
-
for (int l = lmax; l >= 1; l--)
|
|
599
|
-
{
|
|
600
|
-
j(l-1) = (sl+xinv)*j(l) + jp(l);
|
|
601
|
-
sl = sl-xinv;
|
|
602
|
-
jp(l-1) = sl*j(l-1) - j(l);
|
|
603
|
-
}
|
|
604
|
-
}
|
|
605
|
-
|
|
606
|
-
double j0 = j(0);
|
|
607
|
-
double jp0 = jp(0);
|
|
608
|
-
|
|
609
|
-
// C------ CALCULATE THE L=0 SPHERICAL BESSEL FUNCTIONS DIRECTLY
|
|
610
|
-
j(0) = xinv * sin(x);
|
|
611
|
-
y(0) = -xinv * cos(x);
|
|
612
|
-
jp(0) = -y(0)-xinv*j(0);
|
|
613
|
-
yp(0) = j(0)-xinv*y(0);
|
|
614
|
-
|
|
615
|
-
double omega = (abs(j0)>abs(jp0)) ? j(0)/j0 : jp(0) / jp0; // fix for x \approx 2 pi
|
|
616
|
-
double sl = 0;
|
|
617
|
-
for (int l = 1; l <=lmax; l++)
|
|
618
|
-
{
|
|
619
|
-
j(l) *= omega;
|
|
620
|
-
jp(l) *= omega;
|
|
621
|
-
y(l) = sl*y(l-1) - yp(l-1);
|
|
622
|
-
sl += xinv;
|
|
623
|
-
yp(l) = y(l-1) - (sl+xinv)*y(l);
|
|
624
|
-
}
|
|
625
|
-
}
|
|
626
|
-
|
|
138
|
+
FlatVector<double> yp);
|
|
627
139
|
|
|
628
140
|
|
|
141
|
+
|
|
629
142
|
template <typename T>
|
|
630
143
|
void SphericalBessel (int n, double rho, double scale, T && values)
|
|
631
144
|
{
|
|
632
145
|
Vector<double> j(n+1), jp(n+1);
|
|
633
|
-
besseljs3d
|
|
146
|
+
besseljs3d (n, rho, scale, j, jp);
|
|
634
147
|
values = j;
|
|
635
148
|
}
|
|
636
149
|
|
|
@@ -657,6 +170,7 @@ c
|
|
|
657
170
|
Vector j(n+1), y(n+1), jp(n+1), yp(n+1);
|
|
658
171
|
SBESJY (rho, n, j, y, jp, yp);
|
|
659
172
|
|
|
173
|
+
/*
|
|
660
174
|
values = j + Complex(0,1) * y;
|
|
661
175
|
if (scale != 1.0)
|
|
662
176
|
{
|
|
@@ -667,6 +181,28 @@ c
|
|
|
667
181
|
prod *= scale;
|
|
668
182
|
}
|
|
669
183
|
}
|
|
184
|
+
*/
|
|
185
|
+
|
|
186
|
+
|
|
187
|
+
// the bessel-evaluation with scale
|
|
188
|
+
besseljs3d (n, rho, 1/scale, j, jp);
|
|
189
|
+
|
|
190
|
+
// Bessel y directly with the recurrence formula for (y, yp):
|
|
191
|
+
double x = rho;
|
|
192
|
+
double xinv = 1/x;
|
|
193
|
+
y(0) = -xinv * cos(x);
|
|
194
|
+
yp(0) = j(0)-xinv*y(0);
|
|
195
|
+
|
|
196
|
+
double sl = 0;
|
|
197
|
+
for (int l = 1; l <= n; l++)
|
|
198
|
+
{
|
|
199
|
+
y(l) = scale * (sl*y(l-1) - yp(l-1));
|
|
200
|
+
sl += xinv;
|
|
201
|
+
yp(l) = scale * y(l-1) - (sl+xinv)*y(l);
|
|
202
|
+
}
|
|
203
|
+
|
|
204
|
+
for (int i = 0; i <= n; i++)
|
|
205
|
+
values(i) = Complex (j(i), y(i));
|
|
670
206
|
}
|
|
671
207
|
|
|
672
208
|
|
|
@@ -699,7 +235,7 @@ c
|
|
|
699
235
|
|
|
700
236
|
|
|
701
237
|
template <typename RADIAL>
|
|
702
|
-
class MultiPole
|
|
238
|
+
class NGS_DLL_HEADER MultiPole
|
|
703
239
|
{
|
|
704
240
|
SphericalHarmonics sh;
|
|
705
241
|
double kappa;
|
|
@@ -730,80 +266,12 @@ c
|
|
|
730
266
|
return *this;
|
|
731
267
|
}
|
|
732
268
|
|
|
733
|
-
Complex Eval (Vec<3> x) const
|
|
734
|
-
{
|
|
735
|
-
if (sh.Order() < 0) return 0;
|
|
736
|
-
|
|
737
|
-
Vector<Complex> radial(sh.Order()+1);
|
|
738
|
-
Vector<Complex> shvals(sh.Order()+1);
|
|
739
|
-
|
|
740
|
-
RADIAL::Eval(sh.Order(), kappa*L2Norm(x), scale, radial);
|
|
741
|
-
sh.EvalOrders (x, shvals);
|
|
742
|
-
|
|
743
|
-
Complex sum = 0;
|
|
744
|
-
for (int i = 0; i <= sh.Order(); i++)
|
|
745
|
-
sum += shvals(i) * radial(i);
|
|
746
|
-
|
|
747
|
-
return sum;
|
|
748
|
-
}
|
|
749
|
-
|
|
750
|
-
void AddCharge (Vec<3> x, Complex c)
|
|
751
|
-
{
|
|
752
|
-
if constexpr (!std::is_same<RADIAL,MPSingular>())
|
|
753
|
-
throw Exception("AddCharge assumes singular MP");
|
|
754
|
-
|
|
755
|
-
// static Timer t("mptool AddCharge"); RegionTimer rg(t);
|
|
756
|
-
|
|
757
|
-
if (L2Norm(x) < 1e-10)
|
|
758
|
-
{
|
|
759
|
-
sh.Coef(0,0) += c * Complex(0,1)*kappa/sqrt(4*M_PI);
|
|
760
|
-
return;
|
|
761
|
-
}
|
|
762
|
-
|
|
763
|
-
// cout << "add charge, kappa rho = " << kappa*L2Norm(x) << ", order = " << sh.Order() << endl;
|
|
764
|
-
|
|
765
|
-
Vector<Complex> radial(sh.Order()+1);
|
|
766
|
-
Vector<Complex> sh_shapes(sqr (sh.Order()+1));
|
|
767
|
-
|
|
768
|
-
RADIAL::Eval(sh.Order(), kappa*L2Norm(x), 1.0/scale, radial);
|
|
769
|
-
// cout << "radial = " << radial << endl;
|
|
770
|
-
sh.Calc(x, sh_shapes);
|
|
771
|
-
|
|
772
|
-
for (int i = 0; i <= sh.Order(); i++)
|
|
773
|
-
{
|
|
774
|
-
IntRange r(sqr(i), sqr(i+1));
|
|
775
|
-
sh.Coefs().Range(r) += c * Complex(0,1)*kappa * radial(i).real()*Conj(sh_shapes.Range(r));
|
|
776
|
-
}
|
|
777
|
-
}
|
|
269
|
+
Complex Eval (Vec<3> x) const;
|
|
778
270
|
|
|
271
|
+
void AddCharge (Vec<3> x, Complex c);
|
|
272
|
+
void AddDipole (Vec<3> x, Vec<3> d, Complex c);
|
|
273
|
+
|
|
779
274
|
|
|
780
|
-
void AddDipole (Vec<3> x, Vec<3> d, Complex c)
|
|
781
|
-
{
|
|
782
|
-
// static Timer t("mptool AddDipole"); RegionTimer rg(t);
|
|
783
|
-
/*
|
|
784
|
-
double eps = 1e-4;
|
|
785
|
-
AddCharge(x+eps*d, -c/(2*eps));
|
|
786
|
-
AddCharge(x-eps*d, c/(2*eps));
|
|
787
|
-
return;
|
|
788
|
-
*/
|
|
789
|
-
|
|
790
|
-
// book, formula (2.2.20)
|
|
791
|
-
if constexpr (!std::is_same<RADIAL,MPSingular>())
|
|
792
|
-
throw Exception("AddCharge assumes singular MP");
|
|
793
|
-
|
|
794
|
-
// dipole in origin:
|
|
795
|
-
MultiPole<MPSingular> tmp(1, kappa);
|
|
796
|
-
tmp.SH().Coef(1,1) += Complex(0,1)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(0)*c;
|
|
797
|
-
tmp.SH().Coef(1,-1) += Complex(0,1)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(0)*c;
|
|
798
|
-
|
|
799
|
-
tmp.SH().Coef(1,1) += Complex(1,0)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(1)*c;
|
|
800
|
-
tmp.SH().Coef(1,-1) -= Complex(1,0)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(1)*c;
|
|
801
|
-
|
|
802
|
-
tmp.SH().Coef(1,0) += -Complex(0,1)*kappa*kappa*sh.CalcAmn(0,0)/sqrt(4*M_PI) *d(2)*c;
|
|
803
|
-
tmp.TransformAdd (*this, -x);
|
|
804
|
-
}
|
|
805
|
-
|
|
806
|
-
|
|
807
275
|
void ChangeScaleTo (double newscale)
|
|
808
276
|
{
|
|
809
277
|
double fac = scale/newscale;
|
|
@@ -813,6 +281,19 @@ c
|
|
|
813
281
|
scale = newscale;
|
|
814
282
|
}
|
|
815
283
|
|
|
284
|
+
Vector<double> Spectrum (bool scaled) const
|
|
285
|
+
{
|
|
286
|
+
Vector<double> spec(Order()+1);
|
|
287
|
+
double fac = 1;
|
|
288
|
+
for (int n = 0; n <= Order(); n++)
|
|
289
|
+
{
|
|
290
|
+
spec(n) = fac * L2Norm2(sh.CoefsN(n));
|
|
291
|
+
if (!scaled) fac *= sqr(scale);
|
|
292
|
+
}
|
|
293
|
+
return spec;
|
|
294
|
+
}
|
|
295
|
+
|
|
296
|
+
|
|
816
297
|
template <typename TARGET>
|
|
817
298
|
void Transform (MultiPole<TARGET> & target, Vec<3> dist) const
|
|
818
299
|
{
|
|
@@ -861,548 +342,8 @@ c
|
|
|
861
342
|
target.SH().Coefs() += tmp.SH().Coefs();
|
|
862
343
|
}
|
|
863
344
|
|
|
864
|
-
#ifdef VER1
|
|
865
|
-
template <typename TARGET>
|
|
866
|
-
void ShiftZ (double z, MultiPole<TARGET> & target)
|
|
867
|
-
{
|
|
868
|
-
static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
|
|
869
|
-
|
|
870
|
-
RegionTimer rg(t);
|
|
871
|
-
|
|
872
|
-
int os = sh.Order();
|
|
873
|
-
int ot = target.SH().Order();
|
|
874
|
-
|
|
875
|
-
if (os > 100 && ot > 100 && abs(z)*kappa > 0.3*min(os,ot) && is_same<RADIAL,TARGET>())
|
|
876
|
-
{
|
|
877
|
-
MultiPole<TARGET> tmp {target};
|
|
878
|
-
ShiftZ(z/2, tmp);
|
|
879
|
-
tmp.ShiftZ(z/2, target);
|
|
880
|
-
return;
|
|
881
|
-
}
|
|
882
|
-
|
|
883
|
-
|
|
884
|
-
target.SH().Coefs()=0.0;
|
|
885
|
-
|
|
886
|
-
LocalHeap lh( 16*( (os+ot+1)*(os+1) + (os+1 + ot+1) ) + 8*2*(os+ot+1) + 500);
|
|
887
|
-
|
|
888
|
-
FlatMatrix<Complex> trafo(os+ot+1, os+1, lh);
|
|
889
|
-
FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
|
|
890
|
-
FlatVector<double> amn(os+ot+1, lh);
|
|
891
|
-
FlatVector<double> inv_amn(os+ot+1, lh);
|
|
892
|
-
|
|
893
|
-
// trafo = Complex(0.0);
|
|
894
|
-
|
|
895
|
-
|
|
896
|
-
double tscale = target.Scale();
|
|
897
|
-
double inv_tscale = 1.0/tscale;
|
|
898
|
-
|
|
899
|
-
|
|
900
|
-
// (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
|
|
901
|
-
// RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
|
|
902
|
-
if (typeid(RADIAL) == typeid(TARGET))
|
|
903
|
-
SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
|
|
904
|
-
else
|
|
905
|
-
SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
|
|
906
|
-
|
|
907
|
-
/*
|
|
908
|
-
if (L2Norm(trafo.Col(0)) > 1e5 || std::isnan(L2Norm(trafo.Col(0))))
|
|
909
|
-
{
|
|
910
|
-
*testout << "large Hankel: " << L2Norm(trafo.Col(0)) << endl;
|
|
911
|
-
*testout << "kappa z = " << kappa*z << ", os = " << os << ", ot = " << ot << endl;
|
|
912
|
-
}
|
|
913
|
-
*/
|
|
914
|
-
// if (L2Norm(trafo.Col(0)) > 1e5)
|
|
915
|
-
// throw Exception ("z-shift - coefs large");
|
|
916
|
-
|
|
917
|
-
if (z < 0)
|
|
918
|
-
for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
|
|
919
|
-
|
|
920
|
-
for (int l = 0; l <= os+ot; l++)
|
|
921
|
-
trafo(l,0) *= sqrt(2*l+1);
|
|
922
|
-
|
|
923
|
-
if (os > 0)
|
|
924
|
-
{
|
|
925
|
-
for (int l = 1; l < os+ot; l++)
|
|
926
|
-
trafo(l,1) = -scale/sh.CalcAmn(0,0) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
|
|
927
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
|
|
928
|
-
trafo(0,1) = -scale*tscale*trafo(1,0);
|
|
929
|
-
}
|
|
930
|
-
|
|
931
|
-
for (int n = 1; n < os; n++)
|
|
932
|
-
{
|
|
933
|
-
for (int l = 1; l < os+ot-n; l++)
|
|
934
|
-
trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
|
|
935
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
|
|
936
|
-
-sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
|
|
937
|
-
trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
|
|
938
|
-
}
|
|
939
|
-
|
|
940
|
-
cout << "m = " << 0 << endl
|
|
941
|
-
<< trafo.Rows(0,ot+1) << endl;
|
|
942
|
-
|
|
943
|
-
|
|
944
|
-
for (int n = 0; n <= os; n++)
|
|
945
|
-
hv1(n) = sh.Coef(n,0);
|
|
946
|
-
hv2 = trafo.Rows(ot+1) * hv1;
|
|
947
|
-
for (int n = 0; n <= ot; n++)
|
|
948
|
-
target.SH().Coef(n,0) = hv2(n);
|
|
949
|
-
|
|
950
|
-
|
|
951
|
-
for (int m = 1; m <= min(os,ot); m++)
|
|
952
|
-
{
|
|
953
|
-
// fill recursive formula (187)
|
|
954
|
-
for (int l = m; l <= os+ot-m; l++)
|
|
955
|
-
trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*trafo(l-1, m-1)
|
|
956
|
-
-sh.CalcBmn(m-1,l+1)*tscale*trafo(l+1,m-1));
|
|
957
|
-
|
|
958
|
-
|
|
959
|
-
/*
|
|
960
|
-
cout << "m = " << m << endl;
|
|
961
|
-
cout << " norm col0 = " << L2Norm(trafo.Col(m).Range(m,os+ot-m+1)) << endl;
|
|
962
|
-
*/
|
|
963
|
-
|
|
964
|
-
for (int l = m-1; l < os+ot-m; l++)
|
|
965
|
-
{
|
|
966
|
-
amn(l) = sh.CalcAmn(m,l);
|
|
967
|
-
inv_amn(l) = scale/amn(l);
|
|
968
|
-
}
|
|
969
|
-
|
|
970
|
-
double prod = 1;
|
|
971
|
-
for (int n = m; n < os; n++)
|
|
972
|
-
{
|
|
973
|
-
for (int l = m+1; l < os+ot-n; l++)
|
|
974
|
-
trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
|
|
975
|
-
-amn(l-1)*inv_tscale*trafo(l-1,n)
|
|
976
|
-
-amn(n-1)*scale*trafo(l,n-1));
|
|
977
|
-
|
|
978
|
-
prod *= -scale*tscale;
|
|
979
|
-
trafo(m,n+1) = prod*trafo(n+1,m);
|
|
980
|
-
}
|
|
981
|
-
|
|
982
|
-
/*
|
|
983
|
-
cout << " norm trafo = "
|
|
984
|
-
<< L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1))
|
|
985
|
-
<< " ortho " << L2Norm( Trans(trafo.Rows(m,ot+1).Cols(m,os+1))*trafo.Rows(m,ot+1).Cols(m,os+1)
|
|
986
|
-
- Identity(os+1-m)) << endl;
|
|
987
|
-
*/
|
|
988
|
-
/*
|
|
989
|
-
*testout << "norm trafo = " << L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) << endl;
|
|
990
|
-
if ( L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) > 1e30)
|
|
991
|
-
{
|
|
992
|
-
*testout << trafo.Rows(m, ot+1).Cols(m,os+1) << endl;
|
|
993
|
-
for (int i = m; i < os+1; i++)
|
|
994
|
-
{
|
|
995
|
-
*testout << "norm col " << i << " = " << L2Norm(trafo.Col(i).Range(m,os+ot-i)) << endl;
|
|
996
|
-
*testout << "col " << i << " = " << trafo.Col(i).Range(m,os+ot-i) << endl;
|
|
997
|
-
}
|
|
998
|
-
throw Exception("large mat");
|
|
999
|
-
}
|
|
1000
|
-
*/
|
|
1001
|
-
|
|
1002
|
-
cout << "m = " << m << endl
|
|
1003
|
-
<< trafo.Rows(m,ot+1).Cols(m,os+1) << endl;
|
|
1004
|
-
|
|
1005
|
-
for (int n = m; n <= os; n++)
|
|
1006
|
-
hv1(n) = sh.Coef(n,m);
|
|
1007
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1008
|
-
for (int n = m; n <= ot; n++)
|
|
1009
|
-
target.SH().Coef(n,m) = hv2(n);
|
|
1010
|
-
|
|
1011
|
-
for (int n = m; n <= os; n++)
|
|
1012
|
-
hv1(n) = sh.Coef(n,-m);
|
|
1013
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1014
|
-
for (int n = m; n <= ot; n++)
|
|
1015
|
-
target.SH().Coef(n,-m) = hv2(n);
|
|
1016
|
-
}
|
|
1017
|
-
}
|
|
1018
|
-
#endif
|
|
1019
|
-
|
|
1020
|
-
|
|
1021
|
-
#ifdef VER2
|
|
1022
|
-
|
|
1023
|
-
template <typename TARGET>
|
|
1024
|
-
void ShiftZ (double z, MultiPole<TARGET> & target)
|
|
1025
|
-
{
|
|
1026
|
-
static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
|
|
1027
|
-
RegionTimer rg(t);
|
|
1028
|
-
|
|
1029
|
-
int os = sh.Order();
|
|
1030
|
-
int ot = target.SH().Order();
|
|
1031
|
-
|
|
1032
|
-
target.SH().Coefs()=0.0;
|
|
1033
|
-
|
|
1034
|
-
LocalHeap lh( 16*( (os+ot+1)*(os+1) + (os+1 + ot+1) ) + 8*2*(os+ot+1) + 500);
|
|
1035
|
-
|
|
1036
|
-
FlatMatrix<Complex> trafo(os+ot+1, os+1, lh);
|
|
1037
|
-
FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
|
|
1038
|
-
FlatVector<double> amn(os+ot+1, lh);
|
|
1039
|
-
FlatVector<double> inv_amn(os+ot+1, lh);
|
|
1040
|
-
|
|
1041
|
-
// trafo = Complex(0.0);
|
|
1042
|
-
|
|
1043
|
-
double tscale = target.Scale();
|
|
1044
|
-
double inv_tscale = 1.0/tscale;
|
|
1045
|
-
|
|
1046
|
-
|
|
1047
|
-
// (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
|
|
1048
|
-
// RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
|
|
1049
|
-
if (typeid(RADIAL) == typeid(TARGET))
|
|
1050
|
-
SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
|
|
1051
|
-
else
|
|
1052
|
-
SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
|
|
1053
|
-
|
|
1054
|
-
if (z < 0)
|
|
1055
|
-
for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
|
|
1056
|
-
|
|
1057
|
-
// for (int l = 0; l <= os+ot; l++)
|
|
1058
|
-
// trafo(l,0) *= sqrt(2*l+1);
|
|
1059
|
-
|
|
1060
|
-
if (os > 0)
|
|
1061
|
-
{
|
|
1062
|
-
for (int l = 1; l < os+ot; l++)
|
|
1063
|
-
{
|
|
1064
|
-
/*
|
|
1065
|
-
trafo(l,1) = -scale/sh.CalcAmn(0,0) *
|
|
1066
|
-
(sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
|
|
1067
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
|
|
1068
|
-
*/
|
|
1069
|
-
|
|
1070
|
-
int m = 0, n = 0;
|
|
1071
|
-
double fac = ((2*l+1.0)/(2*n+1.0));
|
|
1072
|
-
trafo(l,n+1) = -scale/ ( sqrt((n+1+m)*(n+1-m)) * fac) *
|
|
1073
|
-
(sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
|
|
1074
|
-
-sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
|
|
1075
|
-
-sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
|
|
1076
|
-
}
|
|
1077
|
-
trafo(0,1) = -scale*tscale*trafo(1,0);
|
|
1078
|
-
}
|
|
1079
|
-
|
|
1080
|
-
for (int n = 1; n < os; n++)
|
|
1081
|
-
{
|
|
1082
|
-
for (int l = 1; l < os+ot-n; l++)
|
|
1083
|
-
{
|
|
1084
|
-
/*
|
|
1085
|
-
trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
|
|
1086
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
|
|
1087
|
-
-sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
|
|
1088
|
-
*/
|
|
1089
|
-
|
|
1090
|
-
int m = 0;
|
|
1091
|
-
double fac = ((2*l+1.0)/(2*n+1.0));
|
|
1092
|
-
trafo(l,n+1) = -scale / ( sqrt((n+1+m)*(n+1-m)) * fac) *
|
|
1093
|
-
(sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
|
|
1094
|
-
-sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
|
|
1095
|
-
-sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
|
|
1096
|
-
}
|
|
1097
|
-
trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
|
|
1098
|
-
}
|
|
1099
|
-
|
|
1100
|
-
|
|
1101
|
-
Matrix<Complex> scaledtrafo(os+ot+1, os+1);
|
|
1102
|
-
for (int l = 0; l <= os+ot; l++)
|
|
1103
|
-
for (int n = 0; n <= os; n++)
|
|
1104
|
-
scaledtrafo(l,n) = trafo(l,n) * sqrt( (2*l+1)*(2*n+1) );
|
|
1105
|
-
|
|
1106
|
-
// cout << "m = " << 0 << endl
|
|
1107
|
-
// << scaledtrafo.Rows(0,ot+1) << endl;
|
|
1108
|
-
|
|
1109
|
-
for (int n = 0; n <= os; n++)
|
|
1110
|
-
hv1(n) = sh.Coef(n,0) * sqrt(2*n+1);
|
|
1111
|
-
hv2 = trafo.Rows(ot+1) * hv1;
|
|
1112
|
-
for (int n = 0; n <= ot; n++)
|
|
1113
|
-
target.SH().Coef(n,0) = hv2(n) * sqrt(2*n+1);
|
|
1114
|
-
|
|
1115
|
-
|
|
1116
|
-
for (int m = 1; m <= min(os,ot); m++)
|
|
1117
|
-
{
|
|
1118
|
-
// fill recursive formula (187)
|
|
1119
|
-
for (int l = m; l <= os+ot-m; l++)
|
|
1120
|
-
{
|
|
1121
|
-
trafo(l,m) = scale/sh.CalcBmn(-m, m) *
|
|
1122
|
-
(sh.CalcBmn(-m, l)*inv_tscale * trafo(l-1, m-1) * sqrt( (2*l-1)*(2*m-1) )
|
|
1123
|
-
-sh.CalcBmn(m-1,l+1)*tscale * trafo(l+1,m-1) * sqrt( (2*l+3)*(2*m-1)) );
|
|
1124
|
-
trafo(l,m) /= sqrt( (2*l+1)*(2*m+1) );
|
|
1125
|
-
}
|
|
1126
|
-
|
|
1127
|
-
cout << "m = " << m << endl;
|
|
1128
|
-
cout << " norm col0 = " << L2Norm(trafo.Col(m).Range(m,os+ot-m+1)) << endl;
|
|
1129
|
-
|
|
1130
|
-
for (int l = m-1; l < os+ot-m; l++)
|
|
1131
|
-
{
|
|
1132
|
-
amn(l) = sh.CalcAmn(m,l);
|
|
1133
|
-
inv_amn(l) = scale/amn(l);
|
|
1134
|
-
}
|
|
1135
|
-
|
|
1136
|
-
double prod = 1;
|
|
1137
|
-
for (int n = m; n < os; n++)
|
|
1138
|
-
{
|
|
1139
|
-
for (int l = m+1; l < os+ot-n; l++)
|
|
1140
|
-
{
|
|
1141
|
-
/*
|
|
1142
|
-
trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
|
|
1143
|
-
-amn(l-1)*inv_tscale*trafo(l-1,n)
|
|
1144
|
-
-amn(n-1)*scale*trafo(l,n-1));
|
|
1145
|
-
*/
|
|
1146
|
-
|
|
1147
|
-
|
|
1148
|
-
double fac = ((2*l+1.0)/(2*n+1.0));
|
|
1149
|
-
trafo(l,n+1) = -scale / ( sqrt((n+1+m)*(n+1-m)) * fac) *
|
|
1150
|
-
(sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
|
|
1151
|
-
-sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
|
|
1152
|
-
-sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
|
|
1153
|
-
}
|
|
1154
|
-
prod *= -scale*tscale;
|
|
1155
|
-
trafo(m,n+1) = prod*trafo(n+1,m);
|
|
1156
|
-
}
|
|
1157
|
-
|
|
1158
|
-
double normleft = 0;
|
|
1159
|
-
for (int l = m; l <= ot; l++)
|
|
1160
|
-
for (int n = m; n <= min(l,os); n++)
|
|
1161
|
-
normleft += sqr(abs(trafo(l,n)));
|
|
1162
|
-
normleft = sqrt(normleft);
|
|
1163
|
-
cout << " norm trafo = "
|
|
1164
|
-
<< L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1)) << ", normleft = " << normleft << endl;
|
|
1165
|
-
|
|
1166
|
-
// << " ortho " << L2Norm( Trans(trafo.Rows(m,ot+1).Cols(m,os+1))*trafo.Rows(m,ot+1).Cols(m,os+1)
|
|
1167
|
-
// - Identity(os+1-m)) << endl;
|
|
1168
|
-
/*
|
|
1169
|
-
*testout << "norm trafo = " << L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) << endl;
|
|
1170
|
-
if ( L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) > 1e30)
|
|
1171
|
-
{
|
|
1172
|
-
*testout << trafo.Rows(m, ot+1).Cols(m,os+1) << endl;
|
|
1173
|
-
for (int i = m; i < os+1; i++)
|
|
1174
|
-
{
|
|
1175
|
-
*testout << "norm col " << i << " = " << L2Norm(trafo.Col(i).Range(m,os+ot-i)) << endl;
|
|
1176
|
-
*testout << "col " << i << " = " << trafo.Col(i).Range(m,os+ot-i) << endl;
|
|
1177
|
-
}
|
|
1178
|
-
throw Exception("large mat");
|
|
1179
|
-
}
|
|
1180
|
-
*/
|
|
1181
|
-
|
|
1182
|
-
|
|
1183
|
-
/*
|
|
1184
|
-
Matrix<Complex> scaledtrafo(os+ot+1, os+1);
|
|
1185
|
-
for (int l = 0; l <= os+ot; l++)
|
|
1186
|
-
for (int n = 0; n <= os; n++)
|
|
1187
|
-
scaledtrafo(l,n) = trafo(l,n) * sqrt( (2*l+1)*(2*n+1) );
|
|
1188
|
-
|
|
1189
|
-
cout << "m = " << m << endl
|
|
1190
|
-
<< scaledtrafo.Rows(m,ot+1).Cols(m,os+1) << endl;
|
|
1191
|
-
*/
|
|
1192
|
-
|
|
1193
|
-
for (int n = m; n <= os; n++)
|
|
1194
|
-
hv1(n) = sh.Coef(n,m) * sqrt(2*n+1);
|
|
1195
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1196
|
-
for (int n = m; n <= ot; n++)
|
|
1197
|
-
target.SH().Coef(n,m) = hv2(n)*sqrt(2*n+1);
|
|
1198
|
-
|
|
1199
|
-
for (int n = m; n <= os; n++)
|
|
1200
|
-
hv1(n) = sh.Coef(n,-m) * sqrt(2*n+1);
|
|
1201
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1202
|
-
for (int n = m; n <= ot; n++)
|
|
1203
|
-
target.SH().Coef(n,-m) = hv2(n) * sqrt(2*n+1);
|
|
1204
|
-
}
|
|
1205
|
-
}
|
|
1206
|
-
#endif
|
|
1207
|
-
|
|
1208
|
-
|
|
1209
|
-
|
|
1210
|
-
|
|
1211
345
|
template <typename TARGET>
|
|
1212
|
-
void ShiftZ (double z, MultiPole<TARGET> & target)
|
|
1213
|
-
{
|
|
1214
|
-
static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
|
|
1215
|
-
RegionTimer rg(t);
|
|
1216
|
-
|
|
1217
|
-
int os = sh.Order();
|
|
1218
|
-
int ot = target.SH().Order();
|
|
1219
|
-
|
|
1220
|
-
target.SH().Coefs()=0.0;
|
|
1221
|
-
|
|
1222
|
-
LocalHeap lh( 32*( (os+ot+1)*(os+ot+1) + (os+1 + ot+1) ) + 8*3*(os+ot+1) + 500);
|
|
1223
|
-
|
|
1224
|
-
FlatMatrix<Complex> trafo(os+ot+1, max(os,ot)+1, lh);
|
|
1225
|
-
FlatMatrix<Complex> oldtrafo(os+ot+1, max(os,ot)+1, lh);
|
|
1226
|
-
FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
|
|
1227
|
-
|
|
1228
|
-
// trafo = Complex(0.0);
|
|
1229
|
-
|
|
1230
|
-
double tscale = target.Scale();
|
|
1231
|
-
double inv_tscale = 1.0/tscale;
|
|
1232
|
-
|
|
1233
|
-
FlatVector<double> amn(os+ot+1, lh);
|
|
1234
|
-
FlatVector<double> inv_amn(os+ot+1, lh);
|
|
1235
|
-
|
|
1236
|
-
FlatVector<double> powscale(os+1, lh);
|
|
1237
|
-
double prod = 1;
|
|
1238
|
-
for (int i = 0; i <= os; i++)
|
|
1239
|
-
{
|
|
1240
|
-
powscale(i) = prod;
|
|
1241
|
-
prod *= -scale*tscale;
|
|
1242
|
-
}
|
|
1243
|
-
|
|
1244
|
-
// (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
|
|
1245
|
-
// RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
|
|
1246
|
-
if (typeid(RADIAL) == typeid(TARGET))
|
|
1247
|
-
SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
|
|
1248
|
-
else
|
|
1249
|
-
SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
|
|
1250
|
-
|
|
1251
|
-
if (z < 0)
|
|
1252
|
-
for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
|
|
1253
|
-
|
|
1254
|
-
for (int l = 0; l <= os+ot; l++)
|
|
1255
|
-
trafo(l,0) *= sqrt(2*l+1);
|
|
1256
|
-
|
|
1257
|
-
// for (int l = 0; l <= os+ot; l++)
|
|
1258
|
-
// trafo(l,0) *= sqrt(2*l+1);
|
|
1259
|
-
|
|
1260
|
-
if (os > 0)
|
|
1261
|
-
{
|
|
1262
|
-
for (int l = 1; l < os+ot; l++)
|
|
1263
|
-
trafo(l,1) = -scale/sh.CalcAmn(0,0) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
|
|
1264
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
|
|
1265
|
-
trafo(0,1) = -scale*tscale*trafo(1,0);
|
|
1266
|
-
}
|
|
1267
|
-
|
|
1268
|
-
for (int n = 1; n < trafo.Width()-1; n++)
|
|
1269
|
-
{
|
|
1270
|
-
for (int l = 1; l < os+ot-n; l++)
|
|
1271
|
-
trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
|
|
1272
|
-
-sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
|
|
1273
|
-
-sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
|
|
1274
|
-
trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
|
|
1275
|
-
}
|
|
1276
|
-
|
|
1277
|
-
for (int n = 0; n <= os; n++)
|
|
1278
|
-
hv1(n) = sh.Coef(n,0);
|
|
1279
|
-
hv2 = trafo.Rows(ot+1).Cols(os+1) * hv1;
|
|
1280
|
-
for (int n = 0; n <= ot; n++)
|
|
1281
|
-
target.SH().Coef(n,0) = hv2(n);
|
|
1282
|
-
|
|
1283
|
-
|
|
1284
|
-
for (int m = 1; m <= min(os,ot); m++)
|
|
1285
|
-
{
|
|
1286
|
-
|
|
1287
|
-
|
|
1288
|
-
for (int l = m-1; l < os+ot-m; l++)
|
|
1289
|
-
{
|
|
1290
|
-
amn(l) = sh.CalcAmn(m,l);
|
|
1291
|
-
inv_amn(l) = scale/amn(l);
|
|
1292
|
-
}
|
|
1293
|
-
|
|
1294
|
-
if (typeid(RADIAL) != typeid(TARGET))
|
|
1295
|
-
|
|
1296
|
-
{
|
|
1297
|
-
// fill recursive formula (187)
|
|
1298
|
-
for (int l = m; l <= os+ot-m; l++)
|
|
1299
|
-
trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*trafo(l-1, m-1)
|
|
1300
|
-
-sh.CalcBmn(m-1,l+1)*tscale*trafo(l+1,m-1));
|
|
1301
|
-
|
|
1302
|
-
for (int n = m; n < os; n++)
|
|
1303
|
-
{
|
|
1304
|
-
for (int l = n+1; l < os+ot-n; l++)
|
|
1305
|
-
trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
|
|
1306
|
-
-amn(l-1)*inv_tscale*trafo(l-1,n)
|
|
1307
|
-
-amn(n-1)*scale*trafo(l,n-1));
|
|
1308
|
-
}
|
|
1309
|
-
}
|
|
1310
|
-
|
|
1311
|
-
else
|
|
1312
|
-
|
|
1313
|
-
{
|
|
1314
|
-
/*
|
|
1315
|
-
for (int n = m; n < trafo.Width()-1; n++)
|
|
1316
|
-
{
|
|
1317
|
-
for (int l = n+1; l < os+ot-n; l++)
|
|
1318
|
-
trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
|
|
1319
|
-
-amn(l-1)*inv_tscale*trafo(l-1,n)
|
|
1320
|
-
-amn(n-1)*scale*trafo(l,n-1));
|
|
1321
|
-
}
|
|
1322
|
-
*/
|
|
1323
|
-
|
|
1324
|
-
trafo.Swap (oldtrafo);
|
|
1325
|
-
trafo = 0.0;
|
|
1326
|
-
|
|
1327
|
-
// fill recursive formula (187)
|
|
1328
|
-
for (int l = m; l <= os+ot-m; l++)
|
|
1329
|
-
trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*oldtrafo(l-1, m-1)
|
|
1330
|
-
-sh.CalcBmn(m-1,l+1)*tscale*oldtrafo(l+1,m-1));
|
|
1331
|
-
|
|
1332
|
-
for (int n = m; n < trafo.Width()-1; n++)
|
|
1333
|
-
{
|
|
1334
|
-
// int l = 2*order-n-1;
|
|
1335
|
-
int l = trafo.Height()-n-2;
|
|
1336
|
-
|
|
1337
|
-
trafo(l,n+1) = scale/sh.CalcBmn(-m,n+1)* (sh.CalcBmn(m-1,n) * scale*trafo(l,n-1)
|
|
1338
|
-
- sh.CalcBmn(m-1,l+1)*tscale*oldtrafo(l+1,n)
|
|
1339
|
-
+ sh.CalcBmn(-m,l) * 1/tscale*oldtrafo(l-1,n) );
|
|
1340
|
-
|
|
1341
|
-
trafo(l-1,n) = tscale/amn(l-1) * (amn(l) * tscale*trafo(l+1,n)
|
|
1342
|
-
- amn(n-1)* scale*trafo(l,n-1)
|
|
1343
|
-
+ amn(n)* 1/scale*trafo(l,n+1));
|
|
1344
|
-
}
|
|
1345
|
-
|
|
1346
|
-
// the same thing 1 row up
|
|
1347
|
-
for (int n = m; n < trafo.Width()-2; n++)
|
|
1348
|
-
{
|
|
1349
|
-
// int l = 2*order-n-2;
|
|
1350
|
-
int l = trafo.Height()-n-3;
|
|
1351
|
-
|
|
1352
|
-
trafo(l,n+1) = scale/sh.CalcBmn(-m,n+1)* (sh.CalcBmn(m-1,n) * scale*trafo(l,n-1)
|
|
1353
|
-
- sh.CalcBmn(m-1,l+1) * tscale* oldtrafo(l+1,n)
|
|
1354
|
-
+ sh.CalcBmn(-m,l) * 1/tscale* oldtrafo(l-1,n) );
|
|
1355
|
-
|
|
1356
|
-
trafo(l-1,n) = tscale/amn(l-1) * (amn(l) * tscale*trafo(l+1,n)
|
|
1357
|
-
-amn(n-1)* scale*trafo(l,n-1) +
|
|
1358
|
-
amn(n) * 1/scale*trafo(l,n+1)) ;
|
|
1359
|
-
}
|
|
1360
|
-
|
|
1361
|
-
|
|
1362
|
-
// for (int l = 2*order; l >= m; l--)
|
|
1363
|
-
// for (int n = m+1; n < min(2*order-l,l); n++)
|
|
1364
|
-
for (int l = trafo.Height()-1; l >= m; l--)
|
|
1365
|
-
for (int n = m+1; n < min<int>(trafo.Height()-1-l,l); n++)
|
|
1366
|
-
{
|
|
1367
|
-
trafo(l-1,n) = tscale/amn(l-1)* ( amn(l) * tscale*trafo(l+1,n)
|
|
1368
|
-
-amn(n-1)* scale*trafo(l,n-1)
|
|
1369
|
-
+amn(n) * 1/scale*trafo(l,n+1)) ;
|
|
1370
|
-
}
|
|
1371
|
-
}
|
|
1372
|
-
|
|
1373
|
-
|
|
1374
|
-
/*
|
|
1375
|
-
cout << "m = " << m << endl
|
|
1376
|
-
<< trafo << endl;
|
|
1377
|
-
*/
|
|
1378
|
-
for (int n = m; n < os; n++)
|
|
1379
|
-
for (int l = n+1; l <= os; l++)
|
|
1380
|
-
trafo(n,l) = powscale(l-n) * trafo(l,n);
|
|
1381
|
-
// trafo(n,l) = pow(-scale*tscale, l-n) * trafo(l,n);
|
|
1382
|
-
|
|
1383
|
-
/*
|
|
1384
|
-
cout << " norm trafo = "
|
|
1385
|
-
<< L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1)) << endl;
|
|
1386
|
-
*/
|
|
1387
|
-
|
|
1388
|
-
for (int n = m; n <= os; n++)
|
|
1389
|
-
hv1(n) = sh.Coef(n,m);
|
|
1390
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1391
|
-
for (int n = m; n <= ot; n++)
|
|
1392
|
-
target.SH().Coef(n,m) = hv2(n);
|
|
1393
|
-
|
|
1394
|
-
for (int n = m; n <= os; n++)
|
|
1395
|
-
hv1(n) = sh.Coef(n,-m);
|
|
1396
|
-
hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
|
|
1397
|
-
for (int n = m; n <= ot; n++)
|
|
1398
|
-
target.SH().Coef(n,-m) = hv2(n);
|
|
1399
|
-
}
|
|
1400
|
-
}
|
|
1401
|
-
|
|
1402
|
-
|
|
1403
|
-
|
|
1404
|
-
|
|
1405
|
-
|
|
346
|
+
void ShiftZ (double z, MultiPole<TARGET> & target);
|
|
1406
347
|
|
|
1407
348
|
};
|
|
1408
349
|
|
|
@@ -1433,7 +374,7 @@ c
|
|
|
1433
374
|
int total_sources;
|
|
1434
375
|
|
|
1435
376
|
Node (Vec<3> acenter, double ar, int alevel, int order, double kappa)
|
|
1436
|
-
: center(acenter), r(ar), level(alevel), mp(MPOrder(ar*kappa), kappa, min(1.0,
|
|
377
|
+
: center(acenter), r(ar), level(alevel), mp(MPOrder(ar*kappa), kappa, min(1.0, r*kappa))
|
|
1437
378
|
// : center(acenter), r(ar), level(alevel), mp(MPOrder(ar*kappa), kappa, 1.0)
|
|
1438
379
|
{
|
|
1439
380
|
// cout << "singml, add node, level = " << level << endl;
|
|
@@ -1712,7 +653,7 @@ c
|
|
|
1712
653
|
}
|
|
1713
654
|
|
|
1714
655
|
|
|
1715
|
-
class RegularMLMultiPole
|
|
656
|
+
class NGS_DLL_HEADER RegularMLMultiPole
|
|
1716
657
|
{
|
|
1717
658
|
static Array<size_t> nodes_on_level;
|
|
1718
659
|
|
|
@@ -2034,11 +975,22 @@ c
|
|
|
2034
975
|
|
|
2035
976
|
};
|
|
2036
977
|
|
|
2037
|
-
Array<size_t> RegularMLMultiPole::nodes_on_level(100);
|
|
2038
|
-
Array<size_t> SingularMLMultiPole::nodes_on_level(100);
|
|
2039
978
|
|
|
979
|
+
inline ostream & operator<< (ostream & ost, const RegularMLMultiPole & mlmp)
|
|
980
|
+
{
|
|
981
|
+
// mlmp.Print(ost);
|
|
982
|
+
ost << "RegularMLMultiPole" << endl;
|
|
983
|
+
return ost;
|
|
984
|
+
}
|
|
985
|
+
|
|
986
|
+
|
|
987
|
+
|
|
988
|
+
|
|
989
|
+
|
|
990
|
+
|
|
2040
991
|
// ******************** Coefficient Functions *********************
|
|
2041
992
|
|
|
993
|
+
|
|
2042
994
|
class SphericalHarmonicsCF : public CoefficientFunction
|
|
2043
995
|
{
|
|
2044
996
|
SphericalHarmonics sh;
|
|
@@ -2124,20 +1076,20 @@ c
|
|
|
2124
1076
|
|
|
2125
1077
|
class RegularMLMultiPoleCF : public CoefficientFunction
|
|
2126
1078
|
{
|
|
2127
|
-
RegularMLMultiPole mlmp;
|
|
1079
|
+
shared_ptr<RegularMLMultiPole> mlmp;
|
|
2128
1080
|
public:
|
|
2129
1081
|
RegularMLMultiPoleCF (shared_ptr<SingularMLMultiPoleCF> asingmp, Vec<3> center, double r, int order)
|
|
2130
|
-
: CoefficientFunction(1, true), mlmp(asingmp->MLMP(), center, r, order) { }
|
|
1082
|
+
: CoefficientFunction(1, true), mlmp{make_shared<RegularMLMultiPole>(asingmp->MLMP(), center, r, order)} { }
|
|
2131
1083
|
|
|
2132
1084
|
virtual double Evaluate (const BaseMappedIntegrationPoint & ip) const override
|
|
2133
1085
|
{ throw Exception("real eval not available"); }
|
|
2134
1086
|
|
|
2135
1087
|
virtual void Evaluate (const BaseMappedIntegrationPoint & mip, FlatVector<Complex> values) const override
|
|
2136
1088
|
{
|
|
2137
|
-
values(0) = mlmp
|
|
1089
|
+
values(0) = mlmp->Evaluate(mip.GetPoint());
|
|
2138
1090
|
}
|
|
2139
1091
|
|
|
2140
|
-
RegularMLMultiPole
|
|
1092
|
+
shared_ptr<RegularMLMultiPole> MLMP() { return mlmp; }
|
|
2141
1093
|
};
|
|
2142
1094
|
|
|
2143
1095
|
|