ngsolve 6.2.2501.post55.dev1__cp312-cp312-macosx_10_15_universal2.whl → 6.2.2501.post60.dev1__cp312-cp312-macosx_10_15_universal2.whl

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  1. netgen/include/mptools.hpp +38 -1171
  2. netgen/include/vector.hpp +8 -0
  3. netgen/libngbla.dylib +0 -0
  4. netgen/libngcomp.dylib +0 -0
  5. netgen/libngfem.dylib +0 -0
  6. netgen/libngla.dylib +0 -0
  7. netgen/libngstd.dylib +0 -0
  8. ngsolve/__init__.pyi +1 -1
  9. ngsolve/cmake/NGSolveConfig.cmake +1 -1
  10. ngsolve/config/__init__.pyi +6 -6
  11. ngsolve/config/config.py +5 -5
  12. ngsolve/config/config.pyi +6 -6
  13. {ngsolve-6.2.2501.post55.dev1.dist-info → ngsolve-6.2.2501.post60.dev1.dist-info}/METADATA +1 -1
  14. {ngsolve-6.2.2501.post55.dev1.dist-info → ngsolve-6.2.2501.post60.dev1.dist-info}/RECORD +50 -50
  15. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/Netgen.icns +0 -0
  16. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/bin/ngscxx +0 -0
  17. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/bin/ngsld +0 -0
  18. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/bin/ngsolve.tcl +0 -0
  19. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/bin/ngspy +0 -0
  20. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/beam.geo +0 -0
  21. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/beam.vol +0 -0
  22. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/chip.in2d +0 -0
  23. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/chip.vol +0 -0
  24. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/coil.geo +0 -0
  25. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/coil.vol +0 -0
  26. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/coilshield.geo +0 -0
  27. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/coilshield.vol +0 -0
  28. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/cube.geo +0 -0
  29. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/cube.vol +0 -0
  30. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d10_DGdoubleglazing.pde +0 -0
  31. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d11_chip_nitsche.pde +0 -0
  32. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d1_square.pde +0 -0
  33. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d2_chip.pde +0 -0
  34. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d3_helmholtz.pde +0 -0
  35. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d4_cube.pde +0 -0
  36. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d5_beam.pde +0 -0
  37. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d6_shaft.pde +0 -0
  38. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d7_coil.pde +0 -0
  39. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d8_coilshield.pde +0 -0
  40. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/d9_hybridDG.pde +0 -0
  41. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/doubleglazing.in2d +0 -0
  42. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/doubleglazing.vol +0 -0
  43. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/piezo2d40round4.vol.gz +0 -0
  44. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/shaft.geo +0 -0
  45. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/shaft.vol +0 -0
  46. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/square.in2d +0 -0
  47. {ngsolve-6.2.2501.post55.dev1.data → ngsolve-6.2.2501.post60.dev1.data}/data/share/ngsolve/square.vol +0 -0
  48. {ngsolve-6.2.2501.post55.dev1.dist-info → ngsolve-6.2.2501.post60.dev1.dist-info}/LICENSE +0 -0
  49. {ngsolve-6.2.2501.post55.dev1.dist-info → ngsolve-6.2.2501.post60.dev1.dist-info}/WHEEL +0 -0
  50. {ngsolve-6.2.2501.post55.dev1.dist-info → ngsolve-6.2.2501.post60.dev1.dist-info}/top_level.txt +0 -0
@@ -8,14 +8,14 @@
8
8
 
9
9
  #include <bla.hpp>
10
10
  #include <coefficient.hpp>
11
-
11
+ #include <recursive_pol.hpp>
12
12
 
13
13
  namespace ngfem
14
14
  {
15
15
 
16
16
 
17
17
 
18
- class SphericalHarmonics
18
+ class NGS_DLL_HEADER SphericalHarmonics
19
19
  {
20
20
  int order;
21
21
  Vector<Complex> coefs;
@@ -34,10 +34,10 @@ namespace ngfem
34
34
 
35
35
  auto CoefsN (int n) const
36
36
  {
37
- return FlatVector<Complex> (2*n+1, &coefs(n*(n+1)-n));
37
+ return coefs.RangeN(n*n, 2*n+1);
38
38
  }
39
39
 
40
- auto Polar (Vec<3> x) const
40
+ static std::tuple<double,double> Polar (Vec<3> x)
41
41
  {
42
42
  double phi, theta;
43
43
  if (x(0) == 0 && x(1) == 0)
@@ -50,7 +50,7 @@ namespace ngfem
50
50
  phi = atan2(x(1), x(0));
51
51
  theta = acos(x(2)/L2Norm(x));
52
52
  }
53
- return tuple{theta, phi};
53
+ return { theta, phi };
54
54
  }
55
55
 
56
56
  Complex Eval (Vec<3> x) const
@@ -59,36 +59,7 @@ namespace ngfem
59
59
  return Eval(theta, phi);
60
60
  }
61
61
 
62
- Complex Eval (double theta, double phi) const
63
- {
64
- static Timer t("mptool sh evaluate"); RegionTimer rg(t);
65
-
66
- Matrix legfunc(order+1, order+1);
67
- NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
68
- Vector<Complex> exp_imphi(order+1);
69
- Complex exp_iphi(cos(phi), sin(phi));
70
- Complex prod = 1.0;
71
- for (int i = 0; i <= order; i++)
72
- {
73
- exp_imphi(i) = prod;
74
- prod *= -exp_iphi;
75
- }
76
-
77
- Complex sum = 0.0;
78
- int ii = 0;
79
- for (int n = 0; n <= order; n++)
80
- {
81
- for (int m = -n; m < 0; m++, ii++)
82
- sum += coefs(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
83
- for (int m = 0; m <= n; m++, ii++)
84
- sum += coefs(ii) * exp_imphi(m) * legfunc(m, n);
85
- }
86
-
87
- sum /= sqrt(4*M_PI);
88
- return sum;
89
- }
90
-
91
-
62
+ Complex Eval (double theta, double phi) const;
92
63
 
93
64
  Complex EvalOrder (int n, Vec<3> x) const
94
65
  {
@@ -96,39 +67,7 @@ namespace ngfem
96
67
  return EvalOrder(n, theta, phi);
97
68
  }
98
69
 
99
- Complex EvalOrder (int n, double theta, double phi) const
100
- {
101
- static Timer t("mptool sh evalorder");
102
-
103
- RegionTimer rg(t);
104
-
105
- Matrix legfunc(order+1, order+1);
106
- NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
107
- Vector<Complex> exp_imphi(order+1);
108
- Complex exp_iphi(cos(phi), sin(phi));
109
- Complex prod = 1.0;
110
- for (int i = 0; i <= order; i++)
111
- {
112
- exp_imphi(i) = prod;
113
- prod *= -exp_iphi;
114
- }
115
-
116
- Complex sum = 0.0;
117
- auto coefsn = CoefsN(n);
118
- int ii = 0;
119
- // for (int n = 0; n <= order; n++)
120
- {
121
- for (int m = -n; m < 0; m++, ii++)
122
- sum += coefsn(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
123
- for (int m = 0; m <= n; m++, ii++)
124
- sum += coefsn(ii) * exp_imphi(m) * legfunc(m, n);
125
- }
126
-
127
- sum /= sqrt(4*M_PI);
128
- return sum;
129
- }
130
-
131
-
70
+ Complex EvalOrder (int n, double theta, double phi) const;
132
71
 
133
72
  void EvalOrders (Vec<3> x, FlatVector<Complex> vals) const
134
73
  {
@@ -136,99 +75,15 @@ namespace ngfem
136
75
  return EvalOrders(theta, phi, vals);
137
76
  }
138
77
 
139
- void EvalOrders (double theta, double phi, FlatVector<Complex> vals) const
140
- {
141
- static Timer ts("mptool sh evalorders small");
142
- static Timer tl("mptool sh evalorders large");
143
- // RegionTimer rg(order < 30 ? ts : tl);
144
- // if (order > 30) tl.Start();
145
-
146
- Matrix legfunc(order+1, order+1);
147
- NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
148
- Vector<Complex> exp_imphi(order+1);
149
- Complex exp_iphi(cos(phi), sin(phi));
150
- Complex prod = 1.0;
151
- for (int i = 0; i <= order; i++)
152
- {
153
- exp_imphi(i) = prod;
154
- prod *= -exp_iphi;
155
- }
156
-
157
-
158
- for (int n = 0; n <= order; n++)
159
- {
160
- auto coefsn = CoefsN(n);
161
- int ii = 0;
162
-
163
- Complex sum = 0.0;
164
- for (int m = -n; m < 0; m++, ii++)
165
- sum += coefsn(ii) * conj(exp_imphi(-m)) * legfunc(-m, n);
166
- for (int m = 0; m <= n; m++, ii++)
167
- sum += coefsn(ii) * exp_imphi(m) * legfunc(m, n);
168
- vals(n) = sum;
169
- }
170
-
171
- vals /= sqrt(4*M_PI);
172
-
173
- // if (order > 30) tl.Stop();
174
- }
175
-
176
-
177
- void Calc (Vec<3> x, FlatVector<Complex> shapes)
178
- {
179
- auto [theta, phi] = Polar(x);
180
-
181
- Matrix legfunc(order+1, order+1);
182
- NormalizedLegendreFunctions (order, order, cos(theta), legfunc);
183
- Vector<Complex> exp_imphi(order+1);
184
- Complex exp_iphi(cos(phi), sin(phi));
185
- Complex prod = 1.0;
186
- for (int i = 0; i <= order; i++)
187
- {
188
- exp_imphi(i) = prod;
189
- prod *= -exp_iphi;
190
- }
191
-
192
- int ii = 0;
193
- for (int n = 0; n <= order; n++)
194
- {
195
- for (int m = -n; m < 0; m++, ii++)
196
- shapes(ii) = conj(exp_imphi(-m)) * legfunc(-m, n);
197
- for (int m = 0; m <= n; m++, ii++)
198
- shapes(ii) = exp_imphi(m) * legfunc(m, n);
199
- }
200
-
201
- shapes /= sqrt(4*M_PI);
202
- }
203
-
78
+ void EvalOrders (double theta, double phi, FlatVector<Complex> vals) const;
204
79
 
205
- void RotateZ (double alpha)
206
- {
207
- // static Timer t("mptool sh RotateZ"); RegionTimer rg(t);
208
- if (order < 0) return;
209
-
210
- Vector<Complex> exp_imalpha(order+1);
211
- Complex exp_ialpha(cos(alpha), sin(alpha));
212
- Complex prod = 1.0;
213
- for (int i = 0; i <= order; i++)
214
- {
215
- exp_imalpha(i) = prod;
216
- prod *= exp_ialpha;
217
- }
218
-
219
- int ii = 0;
220
- for (int n = 0; n <= order; n++)
221
- {
222
- for (int m = -n; m < 0; m++, ii++)
223
- coefs(ii) *= conj(exp_imalpha(-m));
224
- for (int m = 0; m <= n; m++, ii++)
225
- coefs(ii) *= exp_imalpha(m);
226
- }
227
- }
228
-
229
-
80
+ void Calc (Vec<3> x, FlatVector<Complex> shapes);
230
81
 
82
+
83
+ void RotateZ (double alpha);
84
+ void RotateY (double alpha);
231
85
 
86
+
232
87
  static double CalcAmn (int m, int n)
233
88
  {
234
89
  if (m < 0) m=-m;
@@ -251,422 +106,44 @@ namespace ngfem
251
106
 
252
107
  // Nail A. Gumerov and Ramani Duraiswami book, formula (2.2.12)
253
108
  // add directional derivative divided by kappa to res, both multipoles need same scaling
254
- void DirectionalDiffAdd (Vec<3> d, SphericalHarmonics & res, double scale = 1)
255
- {
256
- double fx = d(0);
257
- double fy = d(1);
258
- double fz = d(2);
259
- double invscale = 1./scale;
260
-
261
- for (int n = 0; n < order; n++)
262
- for (int m = -n; m <= n; m++)
263
- {
264
- double amn = CalcAmn(m,n);
265
- double bmn1 = CalcBmn(-m-1, n+1);
266
- double bmn2 = CalcBmn(m-1,n+1);
267
-
268
- res.Coef(n+1, m-1) += invscale * Complex(0.5*fx,0.5*fy)*bmn2 * Coef(n,m);
269
- res.Coef(n+1, m ) -= invscale * fz*amn * Coef(n,m);
270
- res.Coef(n+1, m+1) += invscale * Complex(0.5*fx,-0.5*fy)*bmn1 * Coef(n,m);
271
-
272
- res.Coef(n, m) += scale * Complex(-0.5*fx,0.5*fy)*bmn2 * Coef(n+1,m-1);
273
- res.Coef(n, m) += scale * fz*amn * Coef(n+1,m);
274
- res.Coef(n, m) += scale * Complex(-0.5*fx,-0.5*fy)*bmn1 * Coef(n+1,m+1);
275
- }
276
- }
277
-
278
- void RotateY (double alpha)
279
- {
280
- LocalHeap lh(8*6*sqr(order) + 8*15*order + 500);
281
-
282
- static Timer t("mptool sh RotateY"); RegionTimer rg(t);
283
- /*
284
- static std::map<int, unique_ptr<Timer<>>> timers;
285
- static std::map<int, unique_ptr<Timer<>>> timerstrafo;
286
- if (timers.find(order)==timers.end())
287
- {
288
- timers[order] = make_unique<Timer<>> (string("mptools sh RotateY ")+ToString(order));
289
- timerstrafo[order] = make_unique<Timer<>> (string("mptools sh RotateY trafo ")+ToString(order));
290
- }
291
- RegionTimer rg(*timers[order]);
292
- */
293
- double s = sin(alpha);
294
- double c = cos(alpha);
295
-
296
- FlatMatrix<> normalized_leg_func(order+2, order+2, lh);
297
- NormalizedLegendreFunctions(order+1, order+1, c, normalized_leg_func);
298
-
299
- if (alpha < 0)
300
- for (int i = 1; i <= order+1; i+=2)
301
- normalized_leg_func.Row(i) *= -1;
302
-
303
- // cout << "leg = " << endl << normalized_leg_func << endl;
304
- FlatVector<> Dmn(2*order+1, lh);
305
-
306
- for (int n=1; n <= order; n++)
307
- {
308
- HeapReset hr(lh);
309
-
310
- FlatMatrix<double> trafo(n+1, 2*n+1, lh);
311
- /*
312
- Recursive Computation of Spherical Harmonic Rotation Coefficients of Large Degree
313
- Nail A. Gumerov and Ramani Duraiswami
314
- within Excursions in Harmonic Analysis, Volume 3
315
-
316
- page 130
317
- */
318
-
319
- // Step 2
320
- // H(0,m)
321
- trafo.Col(n) = 1.0/sqrt(2*n+1) * normalized_leg_func.Col(n).Range(n+1);
322
- for (int m = 1; m <= n; m += 2) trafo(m,n) *= -1;
323
- // Step 3
324
- // H(1,m)
325
- FlatVector<double> tmp = 1.0/sqrt(2*n+3) * normalized_leg_func.Col(n+1).Range(n+2) | lh;
326
- for (int m = 1; m < tmp.Size(); m += 2) tmp(m) *= -1;
327
- for (int m = 1; m <= n; m++)
328
- trafo.Col(n+1)(m) = 1/CalcBmn(0,n+1) * ( CalcBmn(-m-1, n+1)*(1-c)/2 * tmp(m+1)
329
- - CalcBmn(m-1,n+1)*(1+c)/2 * tmp(m-1)
330
- - CalcAmn(m,n) * s*tmp(m));
331
-
332
- // Step 4
333
- // diamond - recursion
334
- for (int mp = -n; mp <= n; mp++)
335
- Dmn(order+mp) = CalcDmn(mp, n);
336
-
337
- for (int mp = 1; mp < n; mp++)
338
- {
339
- double invDmn = 1.0 / Dmn(order+mp);
340
- for (int m = mp; m < n; m++)
341
- trafo(m, n+mp+1) = invDmn * ( Dmn(order+mp-1) *trafo(m ,n+mp-1)
342
- -Dmn(order+m-1)*trafo(m-1,n+mp)
343
- +Dmn(order+m) *trafo(m+1,n+mp));
344
- int m = n;
345
- trafo(m, n+mp+1) = invDmn * ( Dmn(order+mp-1,n)*trafo(m ,n+mp-1)
346
- -Dmn(order+m-1,n)*trafo(m-1,n+mp));
347
- }
348
-
349
- // Step 5
350
- // diamond - recursion, negative
351
- for (int mp = 0; mp > -n; mp--)
352
- {
353
- double invDmn = 1.0 / Dmn(order+mp-1);
354
- for (int m = -mp+1; m < n; m++)
355
- trafo(m, n+mp-1) = invDmn * ( Dmn(order+mp,n)*trafo(m ,n+mp+1)
356
- +Dmn(order+m-1,n)*trafo(m-1,n+mp)
357
- -Dmn(order+m ,n)*trafo(m+1,n+mp));
358
- int m = n;
359
- trafo(m, n+mp-1) = invDmn * ( Dmn(order+mp,n)*trafo(m ,n+mp+1)
360
- +Dmn(order+m-1,n)*trafo(m-1,n+mp));
361
- }
362
-
363
- // RegionTimer rgtrafo(*timerstrafo[order]);
364
- // Step 6
365
- // symmetries in m and mp
366
- for (int m = 0; m <= n; m++)
367
- {
368
- auto dst = trafo.Row(m).Range(n+m, n+n+1);
369
- auto src = trafo.Col(n+m).Range(m, n+1);
370
- dst = src;
371
- }
372
- for (int m = 0; m <= n; m++)
373
- {
374
- auto dst = trafo.Row(m).Range(n-n, n-m+1).Reversed();
375
- auto src = trafo.Col(n-m).Range(m, n+1);
376
- dst = src;
377
- }
378
- /*
379
- double errortho = L2Norm( Matrix(trafo*Trans(trafo) - Identity(n+1)));
380
- if (errortho > 1e-10)
381
- {
382
- *testout << "n = " << n << " order = " << Order() << ", alpha = " << alpha << ", errortho = " << errortho << endl;
383
- if (n < 10)
384
- *testout << trafo*Trans(trafo) << endl;
385
- }
386
- */
387
-
388
- FlatVector<Complex> cn = CoefsN(n);
389
- FlatVector<Complex> old = cn | lh;
390
-
391
- cn.Slice(0,1) = Trans(trafo) * old.Range(n, 2*n+1);
392
- cn.Slice(0,1).Reversed() += Trans(trafo.Rows(1,n+1)) * old.Range(0,n).Reversed();
109
+ void DirectionalDiffAdd (Vec<3> d, SphericalHarmonics & res, double scale = 1);
393
110
 
394
- for (int m = 1; m <= n; m+=2)
395
- {
396
- cn(n+m) *= -1;
397
- cn(n-m) *= -1;
398
- }
399
- }
400
- }
401
-
402
111
  };
403
112
 
404
113
 
405
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);
406
118
 
407
- // adapted from fmm3d
408
- template <typename Tz>
409
- void besseljs3d (int nterms, Tz z, double scale,
410
- FlatVector<Tz> fjs, FlatVector<Tz> fjder)
411
- {
412
- /*
413
- c**********************************************************************
414
- c
415
- c PURPOSE:
416
- c
417
- c This subroutine evaluates the first NTERMS spherical Bessel
418
- c functions and if required, their derivatives.
419
- c It incorporates a scaling parameter SCALE so that
420
- c
421
- c fjs_n(z)=j_n(z)/SCALE^n
422
- c fjder_n(z)=\frac{\partial fjs_n(z)}{\partial z}
423
- c
424
- c INPUT:
425
- c
426
- c nterms (integer): order of expansion of output array fjs
427
- c z (complex *16): argument of the spherical Bessel functions
428
- c scale (real *8) : scaling factor (discussed above)
429
- c ifder (integer): flag indicating whether to calculate "fjder"
430
- c 0 NO
431
- c 1 YES
432
- c OUTPUT:
433
- c fjs (complex *16): array of scaled Bessel functions.
434
- c fjder (complex *16): array of derivs of scaled Bessel functions.
435
- c
436
- c
437
- */
438
-
439
-
440
- // c ... Initializing ...
441
-
442
- // set to asymptotic values if argument is sufficiently small
443
- if (abs(z) < 1e-200)
444
- {
445
- fjs(0) = 1;
446
- for (int i = 1; i <= nterms; i++)
447
- fjs(i) = 0.0;
448
-
449
- if (fjder.Size())
450
- {
451
- fjder = 0.0;
452
- fjder(1) = 1.0/(3*scale);
453
- }
454
- return;
455
- }
456
-
457
-
458
- // ... Step 1: recursion up to find ntop, starting from nterms
459
-
460
- Tz zinv=1.0/z;
461
-
462
- Tz fjm1 = 0.0;
463
- Tz fj0 = 1.0;
464
-
465
- /*
466
- c
467
- cc note max point for upward recurrence is
468
- c hard coded to nterms + 1000,
469
- c this might cause loss of accuracy for some
470
- c arguments in the complex plane for large
471
- c nterms. For example, it is a terrible idea
472
- c to use this code for z>>nterms^2
473
- */
474
-
475
- // int lwfjs = nterms + 100000;
476
- int ntop = nterms+1000;
477
-
478
- for (int i = nterms; ; i++)
479
- {
480
- double dcoef = 2*i+1.0;
481
- Tz fj1 = dcoef*zinv*fj0-fjm1;
482
- double dd = sqr(abs(fj1));
483
- if (dd > 1e40)
484
- {
485
- ntop=i+1;
486
- break;
487
- }
488
- fjm1 = fj0;
489
- fj0 = fj1;
490
- if (i > nterms+100000)
491
- throw Exception("bessel failed 1");
492
- }
493
-
494
- Array<bool> iscale(ntop+1);
495
- Vector<Tz> fjtmp(ntop+1);
496
-
497
- /*
498
- c ... Step 2: Recursion back down to generate the unscaled jfuns:
499
- c if magnitude exceeds UPBOUND2, rescale and continue the
500
- c recursion (saving the order at which rescaling occurred
501
- c in array iscale.
502
- */
503
-
504
- iscale = false;
505
-
506
- fjtmp(ntop) = 0.0;
507
- fjtmp(ntop-1) = 1.0;
508
- for (int i = ntop-1; i>=1; i--)
509
- {
510
- double dcoef = 2*i+1.0;
511
- fjtmp(i-1) = dcoef*zinv*fjtmp(i)-fjtmp(i+1);
512
- double dd = sqr(abs(fjtmp(i-1)));
513
- if (dd > 1e40)
514
- {
515
- fjtmp(i) *= 1e-40;
516
- fjtmp(i-1) *= 1e-40;
517
- iscale[i] = true;
518
- }
519
- }
520
-
521
- /*
522
- c
523
- c ... Step 3: go back up to the top and make sure that all
524
- c Bessel functions are scaled by the same factor
525
- c (i.e. the net total of times rescaling was invoked
526
- c on the way down in the previous loop).
527
- c At the same time, add scaling to fjs array.
528
- c
529
- */
530
-
531
- double scalinv = 1.0/scale;
532
- double sctot = 1.0;
533
- for (int i = 1; i <= ntop; i++)
534
- {
535
- sctot *= scalinv;
536
- if (iscale[i-1])
537
- sctot *= 1e-40;
538
- fjtmp(i) *= sctot;
539
- }
540
-
541
- // Determine the normalization parameter:
542
-
543
- fj0=sin(z)*zinv;
544
- Tz fj1=fj0*zinv-cos(z)*zinv;
545
-
546
- double d0=abs(fj0);
547
- double d1=abs(fj1);
548
- Tz zscale;
549
- if (d1 > d0)
550
- zscale=fj1/(fjtmp(1)*scale);
551
- else
552
- zscale=fj0/fjtmp(0);
553
-
554
- // Scale the jfuns by zscale:
555
-
556
- Tz ztmp=zscale;
557
- for (int i = 0; i <= nterms; i++)
558
- fjs(i)=fjtmp(i)*ztmp;
559
-
560
-
561
- // Finally, calculate the derivatives if desired:
562
-
563
- if (fjder.Size())
564
- {
565
- fjder(0) = -fjs(1)*scale;
566
- for (int i = 1; i <= nterms; i++)
567
- {
568
- double dc1=i/(2*i+1.0);
569
- double dc2=1.0-dc1;
570
- dc1=dc1*scalinv;
571
- dc2=dc2*scale;
572
- fjder(i)=(dc1*fjtmp(i-1)-dc2*fjtmp(i+1))*ztmp;
573
- }
574
- }
575
- }
576
-
119
+ NGS_DLL_HEADER
120
+ void besseljs3d (int nterms, Complex z, double scale,
121
+ FlatVector<Complex> fjs, FlatVector<Complex> fjder);
577
122
 
578
123
 
579
-
580
124
  /*
581
- // from A. Barnett
582
- // http://www.fresco.org.uk/functions/barnett/index.htm
583
-
584
125
  spherical bessel functions of first (the j_n) and second (the y_n) kind.
585
-
126
+
586
127
  j0(r) = sin(r)/r
587
128
  j1(r) = (sin(r)-r cos(r)) / r**2
588
129
 
589
130
  y0(r) = -cos(r)/r
590
131
  y1(r) = (-cos(r)-r*sin(r)) / r**2
591
132
  */
133
+ NGS_DLL_HEADER
592
134
  void SBESJY (double x, int lmax,
593
135
  FlatVector<double> j,
594
136
  FlatVector<double> y,
595
137
  FlatVector<double> jp,
596
- FlatVector<double> yp)
597
- {
598
- if (x < 1e-8)
599
- {
600
- cout << "TODO: special treatment for small x" << endl;
601
- return;
602
- }
603
-
604
- double xinv = 1/x;
605
-
606
- if (lmax > 0)
607
- {
608
- double twoxi = 2*xinv;
609
- double sl = lmax*xinv;
610
- double tk = 2*sl+3*xinv;
611
- double cf1 = sl;
612
- double den = 1;
613
- if (abs(cf1) < 1e-8) cf1 = 1e-8;
614
- double c = cf1;
615
- double d = 0;
616
- for (int l = 1; l < 10000; l++)
617
- {
618
- c = tk-1/c;
619
- d = tk-d;
620
- if (abs(c) < 1e-8) c = 1e-8;
621
- if (abs(d) < 1e-8) d = 1e-8;
622
- d = 1/d;
623
- double dcf1 = d*c;
624
- cf1 *= dcf1;
625
- if (d < 0) den = -den;
626
- if (abs(dcf1-1) < 1e-10)
627
- break;
628
- tk += twoxi;
629
- // nfp = l;
630
- }
631
-
632
- j(lmax) = den;
633
- jp(lmax) = cf1*den;
634
- for (int l = lmax; l >= 1; l--)
635
- {
636
- j(l-1) = (sl+xinv)*j(l) + jp(l);
637
- sl = sl-xinv;
638
- jp(l-1) = sl*j(l-1) - j(l);
639
- }
640
- }
641
-
642
- double j0 = j(0);
643
- double jp0 = jp(0);
644
-
645
- // C------ CALCULATE THE L=0 SPHERICAL BESSEL FUNCTIONS DIRECTLY
646
- j(0) = xinv * sin(x);
647
- y(0) = -xinv * cos(x);
648
- jp(0) = -y(0)-xinv*j(0);
649
- yp(0) = j(0)-xinv*y(0);
650
-
651
- double omega = (abs(j0)>abs(jp0)) ? j(0)/j0 : jp(0) / jp0; // fix for x \approx 2 pi
652
- double sl = 0;
653
- for (int l = 1; l <=lmax; l++)
654
- {
655
- j(l) *= omega;
656
- jp(l) *= omega;
657
- y(l) = sl*y(l-1) - yp(l-1);
658
- sl += xinv;
659
- yp(l) = y(l-1) - (sl+xinv)*y(l);
660
- }
661
- }
662
-
138
+ FlatVector<double> yp);
663
139
 
664
140
 
141
+
665
142
  template <typename T>
666
143
  void SphericalBessel (int n, double rho, double scale, T && values)
667
144
  {
668
145
  Vector<double> j(n+1), jp(n+1);
669
- besseljs3d<double> (n, rho, scale, j, jp);
146
+ besseljs3d (n, rho, scale, j, jp);
670
147
  values = j;
671
148
  }
672
149
 
@@ -735,7 +212,7 @@ c
735
212
 
736
213
 
737
214
  template <typename RADIAL>
738
- class MultiPole
215
+ class NGS_DLL_HEADER MultiPole
739
216
  {
740
217
  SphericalHarmonics sh;
741
218
  double kappa;
@@ -766,86 +243,12 @@ c
766
243
  return *this;
767
244
  }
768
245
 
769
- Complex Eval (Vec<3> x) const
770
- {
771
- if (sh.Order() < 0) return 0;
772
-
773
- Vector<Complex> radial(sh.Order()+1);
774
- Vector<Complex> shvals(sh.Order()+1);
775
-
776
- RADIAL::Eval(sh.Order(), kappa*L2Norm(x), scale, radial);
777
- sh.EvalOrders (x, shvals);
778
-
779
- Complex sum = 0;
780
- for (int i = 0; i <= sh.Order(); i++)
781
- sum += shvals(i) * radial(i);
782
-
783
- return sum;
784
- }
785
-
786
- void AddCharge (Vec<3> x, Complex c)
787
- {
788
- if constexpr (!std::is_same<RADIAL,MPSingular>())
789
- throw Exception("AddCharge assumes singular MP");
790
-
791
- // static Timer t("mptool AddCharge"); RegionTimer rg(t);
792
-
793
- if (L2Norm(x) < 1e-10)
794
- {
795
- sh.Coef(0,0) += c * Complex(0,1)*kappa/sqrt(4*M_PI);
796
- return;
797
- }
798
-
799
- // cout << "add charge, kappa rho = " << kappa*L2Norm(x) << ", order = " << sh.Order() << endl;
800
-
801
- Vector<Complex> radial(sh.Order()+1);
802
- Vector<Complex> sh_shapes(sqr (sh.Order()+1));
803
-
804
- RADIAL::Eval(sh.Order(), kappa*L2Norm(x), 1.0/scale, radial);
805
- // cout << "radial = " << radial << endl;
806
- sh.Calc(x, sh_shapes);
807
-
808
- for (int i = 0; i <= sh.Order(); i++)
809
- {
810
- IntRange r(sqr(i), sqr(i+1));
811
- sh.Coefs().Range(r) += c * Complex(0,1)*kappa * radial(i).real()*Conj(sh_shapes.Range(r));
812
- }
813
- }
246
+ Complex Eval (Vec<3> x) const;
814
247
 
248
+ void AddCharge (Vec<3> x, Complex c);
249
+ void AddDipole (Vec<3> x, Vec<3> d, Complex c);
250
+
815
251
 
816
- void AddDipole (Vec<3> x, Vec<3> d, Complex c)
817
- {
818
- // static Timer t("mptool AddDipole"); RegionTimer rg(t);
819
- /*
820
- double eps = 1e-4;
821
- AddCharge(x+eps*d, -c/(2*eps));
822
- AddCharge(x-eps*d, c/(2*eps));
823
- return;
824
- */
825
-
826
- if constexpr (!std::is_same<RADIAL,MPSingular>())
827
- throw Exception("AddCharge assumes singular MP");
828
-
829
- /*
830
- // book, formula (2.2.20)
831
- // dipole in origin:
832
- MultiPole<MPSingular> tmp(1, kappa);
833
- tmp.SH().Coef(1,1) += Complex(0,1)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(0)*c;
834
- tmp.SH().Coef(1,-1) += Complex(0,1)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(0)*c;
835
-
836
- tmp.SH().Coef(1,1) += Complex(1,0)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(1)*c;
837
- tmp.SH().Coef(1,-1) -= Complex(1,0)*sqr(kappa)*sh.CalcBmn(-1,1)/(2*sqrt(4*M_PI)) * d(1)*c;
838
-
839
- tmp.SH().Coef(1,0) += -Complex(0,1)*kappa*kappa*sh.CalcAmn(0,0)/sqrt(4*M_PI) *d(2)*c;
840
- tmp.TransformAdd (*this, -x);
841
- */
842
-
843
- MultiPole<MPSingular> tmp(Order(), kappa, Scale());
844
- tmp.AddCharge(x, c);
845
- tmp.SH().DirectionalDiffAdd (kappa*d, this->SH(), Scale());
846
- }
847
-
848
-
849
252
  void ChangeScaleTo (double newscale)
850
253
  {
851
254
  double fac = scale/newscale;
@@ -903,548 +306,8 @@ c
903
306
  target.SH().Coefs() += tmp.SH().Coefs();
904
307
  }
905
308
 
906
- #ifdef VER1
907
- template <typename TARGET>
908
- void ShiftZ (double z, MultiPole<TARGET> & target)
909
- {
910
- static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
911
-
912
- RegionTimer rg(t);
913
-
914
- int os = sh.Order();
915
- int ot = target.SH().Order();
916
-
917
- if (os > 100 && ot > 100 && abs(z)*kappa > 0.3*min(os,ot) && is_same<RADIAL,TARGET>())
918
- {
919
- MultiPole<TARGET> tmp {target};
920
- ShiftZ(z/2, tmp);
921
- tmp.ShiftZ(z/2, target);
922
- return;
923
- }
924
-
925
-
926
- target.SH().Coefs()=0.0;
927
-
928
- LocalHeap lh( 16*( (os+ot+1)*(os+1) + (os+1 + ot+1) ) + 8*2*(os+ot+1) + 500);
929
-
930
- FlatMatrix<Complex> trafo(os+ot+1, os+1, lh);
931
- FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
932
- FlatVector<double> amn(os+ot+1, lh);
933
- FlatVector<double> inv_amn(os+ot+1, lh);
934
-
935
- // trafo = Complex(0.0);
936
-
937
-
938
- double tscale = target.Scale();
939
- double inv_tscale = 1.0/tscale;
940
-
941
-
942
- // (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
943
- // RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
944
- if (typeid(RADIAL) == typeid(TARGET))
945
- SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
946
- else
947
- SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
948
-
949
- /*
950
- if (L2Norm(trafo.Col(0)) > 1e5 || std::isnan(L2Norm(trafo.Col(0))))
951
- {
952
- *testout << "large Hankel: " << L2Norm(trafo.Col(0)) << endl;
953
- *testout << "kappa z = " << kappa*z << ", os = " << os << ", ot = " << ot << endl;
954
- }
955
- */
956
- // if (L2Norm(trafo.Col(0)) > 1e5)
957
- // throw Exception ("z-shift - coefs large");
958
-
959
- if (z < 0)
960
- for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
961
-
962
- for (int l = 0; l <= os+ot; l++)
963
- trafo(l,0) *= sqrt(2*l+1);
964
-
965
- if (os > 0)
966
- {
967
- for (int l = 1; l < os+ot; l++)
968
- trafo(l,1) = -scale/sh.CalcAmn(0,0) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
969
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
970
- trafo(0,1) = -scale*tscale*trafo(1,0);
971
- }
972
-
973
- for (int n = 1; n < os; n++)
974
- {
975
- for (int l = 1; l < os+ot-n; l++)
976
- trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
977
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
978
- -sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
979
- trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
980
- }
981
-
982
- cout << "m = " << 0 << endl
983
- << trafo.Rows(0,ot+1) << endl;
984
-
985
-
986
- for (int n = 0; n <= os; n++)
987
- hv1(n) = sh.Coef(n,0);
988
- hv2 = trafo.Rows(ot+1) * hv1;
989
- for (int n = 0; n <= ot; n++)
990
- target.SH().Coef(n,0) = hv2(n);
991
-
992
-
993
- for (int m = 1; m <= min(os,ot); m++)
994
- {
995
- // fill recursive formula (187)
996
- for (int l = m; l <= os+ot-m; l++)
997
- trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*trafo(l-1, m-1)
998
- -sh.CalcBmn(m-1,l+1)*tscale*trafo(l+1,m-1));
999
-
1000
-
1001
- /*
1002
- cout << "m = " << m << endl;
1003
- cout << " norm col0 = " << L2Norm(trafo.Col(m).Range(m,os+ot-m+1)) << endl;
1004
- */
1005
-
1006
- for (int l = m-1; l < os+ot-m; l++)
1007
- {
1008
- amn(l) = sh.CalcAmn(m,l);
1009
- inv_amn(l) = scale/amn(l);
1010
- }
1011
-
1012
- double prod = 1;
1013
- for (int n = m; n < os; n++)
1014
- {
1015
- for (int l = m+1; l < os+ot-n; l++)
1016
- trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
1017
- -amn(l-1)*inv_tscale*trafo(l-1,n)
1018
- -amn(n-1)*scale*trafo(l,n-1));
1019
-
1020
- prod *= -scale*tscale;
1021
- trafo(m,n+1) = prod*trafo(n+1,m);
1022
- }
1023
-
1024
- /*
1025
- cout << " norm trafo = "
1026
- << L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1))
1027
- << " ortho " << L2Norm( Trans(trafo.Rows(m,ot+1).Cols(m,os+1))*trafo.Rows(m,ot+1).Cols(m,os+1)
1028
- - Identity(os+1-m)) << endl;
1029
- */
1030
- /*
1031
- *testout << "norm trafo = " << L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) << endl;
1032
- if ( L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) > 1e30)
1033
- {
1034
- *testout << trafo.Rows(m, ot+1).Cols(m,os+1) << endl;
1035
- for (int i = m; i < os+1; i++)
1036
- {
1037
- *testout << "norm col " << i << " = " << L2Norm(trafo.Col(i).Range(m,os+ot-i)) << endl;
1038
- *testout << "col " << i << " = " << trafo.Col(i).Range(m,os+ot-i) << endl;
1039
- }
1040
- throw Exception("large mat");
1041
- }
1042
- */
1043
-
1044
- cout << "m = " << m << endl
1045
- << trafo.Rows(m,ot+1).Cols(m,os+1) << endl;
1046
-
1047
- for (int n = m; n <= os; n++)
1048
- hv1(n) = sh.Coef(n,m);
1049
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1050
- for (int n = m; n <= ot; n++)
1051
- target.SH().Coef(n,m) = hv2(n);
1052
-
1053
- for (int n = m; n <= os; n++)
1054
- hv1(n) = sh.Coef(n,-m);
1055
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1056
- for (int n = m; n <= ot; n++)
1057
- target.SH().Coef(n,-m) = hv2(n);
1058
- }
1059
- }
1060
- #endif
1061
-
1062
-
1063
- #ifdef VER2
1064
-
1065
- template <typename TARGET>
1066
- void ShiftZ (double z, MultiPole<TARGET> & target)
1067
- {
1068
- static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
1069
- RegionTimer rg(t);
1070
-
1071
- int os = sh.Order();
1072
- int ot = target.SH().Order();
1073
-
1074
- target.SH().Coefs()=0.0;
1075
-
1076
- LocalHeap lh( 16*( (os+ot+1)*(os+1) + (os+1 + ot+1) ) + 8*2*(os+ot+1) + 500);
1077
-
1078
- FlatMatrix<Complex> trafo(os+ot+1, os+1, lh);
1079
- FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
1080
- FlatVector<double> amn(os+ot+1, lh);
1081
- FlatVector<double> inv_amn(os+ot+1, lh);
1082
-
1083
- // trafo = Complex(0.0);
1084
-
1085
- double tscale = target.Scale();
1086
- double inv_tscale = 1.0/tscale;
1087
-
1088
-
1089
- // (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
1090
- // RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
1091
- if (typeid(RADIAL) == typeid(TARGET))
1092
- SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
1093
- else
1094
- SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
1095
-
1096
- if (z < 0)
1097
- for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
1098
-
1099
- // for (int l = 0; l <= os+ot; l++)
1100
- // trafo(l,0) *= sqrt(2*l+1);
1101
-
1102
- if (os > 0)
1103
- {
1104
- for (int l = 1; l < os+ot; l++)
1105
- {
1106
- /*
1107
- trafo(l,1) = -scale/sh.CalcAmn(0,0) *
1108
- (sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
1109
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
1110
- */
1111
-
1112
- int m = 0, n = 0;
1113
- double fac = ((2*l+1.0)/(2*n+1.0));
1114
- trafo(l,n+1) = -scale/ ( sqrt((n+1+m)*(n+1-m)) * fac) *
1115
- (sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
1116
- -sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
1117
- -sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
1118
- }
1119
- trafo(0,1) = -scale*tscale*trafo(1,0);
1120
- }
1121
-
1122
- for (int n = 1; n < os; n++)
1123
- {
1124
- for (int l = 1; l < os+ot-n; l++)
1125
- {
1126
- /*
1127
- trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
1128
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
1129
- -sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
1130
- */
1131
-
1132
- int m = 0;
1133
- double fac = ((2*l+1.0)/(2*n+1.0));
1134
- trafo(l,n+1) = -scale / ( sqrt((n+1+m)*(n+1-m)) * fac) *
1135
- (sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
1136
- -sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
1137
- -sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
1138
- }
1139
- trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
1140
- }
1141
-
1142
-
1143
- Matrix<Complex> scaledtrafo(os+ot+1, os+1);
1144
- for (int l = 0; l <= os+ot; l++)
1145
- for (int n = 0; n <= os; n++)
1146
- scaledtrafo(l,n) = trafo(l,n) * sqrt( (2*l+1)*(2*n+1) );
1147
-
1148
- // cout << "m = " << 0 << endl
1149
- // << scaledtrafo.Rows(0,ot+1) << endl;
1150
-
1151
- for (int n = 0; n <= os; n++)
1152
- hv1(n) = sh.Coef(n,0) * sqrt(2*n+1);
1153
- hv2 = trafo.Rows(ot+1) * hv1;
1154
- for (int n = 0; n <= ot; n++)
1155
- target.SH().Coef(n,0) = hv2(n) * sqrt(2*n+1);
1156
-
1157
-
1158
- for (int m = 1; m <= min(os,ot); m++)
1159
- {
1160
- // fill recursive formula (187)
1161
- for (int l = m; l <= os+ot-m; l++)
1162
- {
1163
- trafo(l,m) = scale/sh.CalcBmn(-m, m) *
1164
- (sh.CalcBmn(-m, l)*inv_tscale * trafo(l-1, m-1) * sqrt( (2*l-1)*(2*m-1) )
1165
- -sh.CalcBmn(m-1,l+1)*tscale * trafo(l+1,m-1) * sqrt( (2*l+3)*(2*m-1)) );
1166
- trafo(l,m) /= sqrt( (2*l+1)*(2*m+1) );
1167
- }
1168
-
1169
- cout << "m = " << m << endl;
1170
- cout << " norm col0 = " << L2Norm(trafo.Col(m).Range(m,os+ot-m+1)) << endl;
1171
-
1172
- for (int l = m-1; l < os+ot-m; l++)
1173
- {
1174
- amn(l) = sh.CalcAmn(m,l);
1175
- inv_amn(l) = scale/amn(l);
1176
- }
1177
-
1178
- double prod = 1;
1179
- for (int n = m; n < os; n++)
1180
- {
1181
- for (int l = m+1; l < os+ot-n; l++)
1182
- {
1183
- /*
1184
- trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
1185
- -amn(l-1)*inv_tscale*trafo(l-1,n)
1186
- -amn(n-1)*scale*trafo(l,n-1));
1187
- */
1188
-
1189
-
1190
- double fac = ((2*l+1.0)/(2*n+1.0));
1191
- trafo(l,n+1) = -scale / ( sqrt((n+1+m)*(n+1-m)) * fac) *
1192
- (sqrt( (l+1+m)*(l+1-m)) * tscale * trafo(l+1,n)
1193
- -sqrt( (l+m)*(l-m) ) * inv_tscale * trafo(l-1,n)
1194
- -sqrt( (n+m)*(n-m) ) * fac * scale * trafo(l,n-1));
1195
- }
1196
- prod *= -scale*tscale;
1197
- trafo(m,n+1) = prod*trafo(n+1,m);
1198
- }
1199
-
1200
- double normleft = 0;
1201
- for (int l = m; l <= ot; l++)
1202
- for (int n = m; n <= min(l,os); n++)
1203
- normleft += sqr(abs(trafo(l,n)));
1204
- normleft = sqrt(normleft);
1205
- cout << " norm trafo = "
1206
- << L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1)) << ", normleft = " << normleft << endl;
1207
-
1208
- // << " ortho " << L2Norm( Trans(trafo.Rows(m,ot+1).Cols(m,os+1))*trafo.Rows(m,ot+1).Cols(m,os+1)
1209
- // - Identity(os+1-m)) << endl;
1210
- /*
1211
- *testout << "norm trafo = " << L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) << endl;
1212
- if ( L2Norm(trafo.Rows(m, ot+1).Cols(m,os+1)) > 1e30)
1213
- {
1214
- *testout << trafo.Rows(m, ot+1).Cols(m,os+1) << endl;
1215
- for (int i = m; i < os+1; i++)
1216
- {
1217
- *testout << "norm col " << i << " = " << L2Norm(trafo.Col(i).Range(m,os+ot-i)) << endl;
1218
- *testout << "col " << i << " = " << trafo.Col(i).Range(m,os+ot-i) << endl;
1219
- }
1220
- throw Exception("large mat");
1221
- }
1222
- */
1223
-
1224
-
1225
- /*
1226
- Matrix<Complex> scaledtrafo(os+ot+1, os+1);
1227
- for (int l = 0; l <= os+ot; l++)
1228
- for (int n = 0; n <= os; n++)
1229
- scaledtrafo(l,n) = trafo(l,n) * sqrt( (2*l+1)*(2*n+1) );
1230
-
1231
- cout << "m = " << m << endl
1232
- << scaledtrafo.Rows(m,ot+1).Cols(m,os+1) << endl;
1233
- */
1234
-
1235
- for (int n = m; n <= os; n++)
1236
- hv1(n) = sh.Coef(n,m) * sqrt(2*n+1);
1237
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1238
- for (int n = m; n <= ot; n++)
1239
- target.SH().Coef(n,m) = hv2(n)*sqrt(2*n+1);
1240
-
1241
- for (int n = m; n <= os; n++)
1242
- hv1(n) = sh.Coef(n,-m) * sqrt(2*n+1);
1243
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1244
- for (int n = m; n <= ot; n++)
1245
- target.SH().Coef(n,-m) = hv2(n) * sqrt(2*n+1);
1246
- }
1247
- }
1248
- #endif
1249
-
1250
-
1251
-
1252
-
1253
309
  template <typename TARGET>
1254
- void ShiftZ (double z, MultiPole<TARGET> & target)
1255
- {
1256
- static Timer t("mptool ShiftZ"+ToString(typeid(RADIAL).name())+ToString(typeid(TARGET).name()));
1257
- RegionTimer rg(t);
1258
-
1259
- int os = sh.Order();
1260
- int ot = target.SH().Order();
1261
-
1262
- target.SH().Coefs()=0.0;
1263
-
1264
- LocalHeap lh( 32*( (os+ot+1)*(os+ot+1) + (os+1 + ot+1) ) + 8*3*(os+ot+1) + 500);
1265
-
1266
- FlatMatrix<Complex> trafo(os+ot+1, max(os,ot)+1, lh);
1267
- FlatMatrix<Complex> oldtrafo(os+ot+1, max(os,ot)+1, lh);
1268
- FlatVector<Complex> hv1(os+1, lh), hv2(ot+1, lh);
1269
-
1270
- // trafo = Complex(0.0);
1271
-
1272
- double tscale = target.Scale();
1273
- double inv_tscale = 1.0/tscale;
1274
-
1275
- FlatVector<double> amn(os+ot+1, lh);
1276
- FlatVector<double> inv_amn(os+ot+1, lh);
1277
-
1278
- FlatVector<double> powscale(os+1, lh);
1279
- double prod = 1;
1280
- for (int i = 0; i <= os; i++)
1281
- {
1282
- powscale(i) = prod;
1283
- prod *= -scale*tscale;
1284
- }
1285
-
1286
- // (185) from paper 'fast, exact, stable, Gumerov+Duraiswami
1287
- // RADIAL::Eval(os+ot, kappa*abs(z), trafo.Col(0));
1288
- if (typeid(RADIAL) == typeid(TARGET))
1289
- SphericalBessel (os+ot, kappa*abs(z), tscale, trafo.Col(0));
1290
- else
1291
- SphericalHankel1 (os+ot, kappa*abs(z), inv_tscale, trafo.Col(0));
1292
-
1293
- if (z < 0)
1294
- for (int l = 1; l < trafo.Height(); l+=2) trafo(l,0) *= -1;
1295
-
1296
- for (int l = 0; l <= os+ot; l++)
1297
- trafo(l,0) *= sqrt(2*l+1);
1298
-
1299
- // for (int l = 0; l <= os+ot; l++)
1300
- // trafo(l,0) *= sqrt(2*l+1);
1301
-
1302
- if (os > 0)
1303
- {
1304
- for (int l = 1; l < os+ot; l++)
1305
- trafo(l,1) = -scale/sh.CalcAmn(0,0) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,0)
1306
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,0));
1307
- trafo(0,1) = -scale*tscale*trafo(1,0);
1308
- }
1309
-
1310
- for (int n = 1; n < trafo.Width()-1; n++)
1311
- {
1312
- for (int l = 1; l < os+ot-n; l++)
1313
- trafo(l,n+1) = -scale/sh.CalcAmn(0,n) * (sh.CalcAmn(0,l)*tscale*trafo(l+1,n)
1314
- -sh.CalcAmn(0,l-1)*inv_tscale*trafo(l-1,n)
1315
- -sh.CalcAmn(0,n-1)*scale*trafo(l,n-1));
1316
- trafo(0,n+1) = pow(-scale*tscale,n+1)*trafo(n+1,0);
1317
- }
1318
-
1319
- for (int n = 0; n <= os; n++)
1320
- hv1(n) = sh.Coef(n,0);
1321
- hv2 = trafo.Rows(ot+1).Cols(os+1) * hv1;
1322
- for (int n = 0; n <= ot; n++)
1323
- target.SH().Coef(n,0) = hv2(n);
1324
-
1325
-
1326
- for (int m = 1; m <= min(os,ot); m++)
1327
- {
1328
-
1329
-
1330
- for (int l = m-1; l < os+ot-m; l++)
1331
- {
1332
- amn(l) = sh.CalcAmn(m,l);
1333
- inv_amn(l) = scale/amn(l);
1334
- }
1335
-
1336
- if (typeid(RADIAL) != typeid(TARGET))
1337
-
1338
- {
1339
- // fill recursive formula (187)
1340
- for (int l = m; l <= os+ot-m; l++)
1341
- trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*trafo(l-1, m-1)
1342
- -sh.CalcBmn(m-1,l+1)*tscale*trafo(l+1,m-1));
1343
-
1344
- for (int n = m; n < os; n++)
1345
- {
1346
- for (int l = n+1; l < os+ot-n; l++)
1347
- trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
1348
- -amn(l-1)*inv_tscale*trafo(l-1,n)
1349
- -amn(n-1)*scale*trafo(l,n-1));
1350
- }
1351
- }
1352
-
1353
- else
1354
-
1355
- {
1356
- /*
1357
- for (int n = m; n < trafo.Width()-1; n++)
1358
- {
1359
- for (int l = n+1; l < os+ot-n; l++)
1360
- trafo(l,n+1) = -inv_amn(n) * (amn(l)*tscale*trafo(l+1,n)
1361
- -amn(l-1)*inv_tscale*trafo(l-1,n)
1362
- -amn(n-1)*scale*trafo(l,n-1));
1363
- }
1364
- */
1365
-
1366
- trafo.Swap (oldtrafo);
1367
- trafo = 0.0;
1368
-
1369
- // fill recursive formula (187)
1370
- for (int l = m; l <= os+ot-m; l++)
1371
- trafo(l,m) = scale/sh.CalcBmn(-m, m) * (sh.CalcBmn(-m, l)*inv_tscale*oldtrafo(l-1, m-1)
1372
- -sh.CalcBmn(m-1,l+1)*tscale*oldtrafo(l+1,m-1));
1373
-
1374
- for (int n = m; n < trafo.Width()-1; n++)
1375
- {
1376
- // int l = 2*order-n-1;
1377
- int l = trafo.Height()-n-2;
1378
-
1379
- trafo(l,n+1) = scale/sh.CalcBmn(-m,n+1)* (sh.CalcBmn(m-1,n) * scale*trafo(l,n-1)
1380
- - sh.CalcBmn(m-1,l+1)*tscale*oldtrafo(l+1,n)
1381
- + sh.CalcBmn(-m,l) * 1/tscale*oldtrafo(l-1,n) );
1382
-
1383
- trafo(l-1,n) = tscale/amn(l-1) * (amn(l) * tscale*trafo(l+1,n)
1384
- - amn(n-1)* scale*trafo(l,n-1)
1385
- + amn(n)* 1/scale*trafo(l,n+1));
1386
- }
1387
-
1388
- // the same thing 1 row up
1389
- for (int n = m; n < trafo.Width()-2; n++)
1390
- {
1391
- // int l = 2*order-n-2;
1392
- int l = trafo.Height()-n-3;
1393
-
1394
- trafo(l,n+1) = scale/sh.CalcBmn(-m,n+1)* (sh.CalcBmn(m-1,n) * scale*trafo(l,n-1)
1395
- - sh.CalcBmn(m-1,l+1) * tscale* oldtrafo(l+1,n)
1396
- + sh.CalcBmn(-m,l) * 1/tscale* oldtrafo(l-1,n) );
1397
-
1398
- trafo(l-1,n) = tscale/amn(l-1) * (amn(l) * tscale*trafo(l+1,n)
1399
- -amn(n-1)* scale*trafo(l,n-1) +
1400
- amn(n) * 1/scale*trafo(l,n+1)) ;
1401
- }
1402
-
1403
-
1404
- // for (int l = 2*order; l >= m; l--)
1405
- // for (int n = m+1; n < min(2*order-l,l); n++)
1406
- for (int l = trafo.Height()-1; l >= m; l--)
1407
- for (int n = m+1; n < min<int>(trafo.Height()-1-l,l); n++)
1408
- {
1409
- trafo(l-1,n) = tscale/amn(l-1)* ( amn(l) * tscale*trafo(l+1,n)
1410
- -amn(n-1)* scale*trafo(l,n-1)
1411
- +amn(n) * 1/scale*trafo(l,n+1)) ;
1412
- }
1413
- }
1414
-
1415
-
1416
- /*
1417
- cout << "m = " << m << endl
1418
- << trafo << endl;
1419
- */
1420
- for (int n = m; n < os; n++)
1421
- for (int l = n+1; l <= os; l++)
1422
- trafo(n,l) = powscale(l-n) * trafo(l,n);
1423
- // trafo(n,l) = pow(-scale*tscale, l-n) * trafo(l,n);
1424
-
1425
- /*
1426
- cout << " norm trafo = "
1427
- << L2Norm(trafo.Rows(m,ot+1).Cols(m,os+1)) << endl;
1428
- */
1429
-
1430
- for (int n = m; n <= os; n++)
1431
- hv1(n) = sh.Coef(n,m);
1432
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1433
- for (int n = m; n <= ot; n++)
1434
- target.SH().Coef(n,m) = hv2(n);
1435
-
1436
- for (int n = m; n <= os; n++)
1437
- hv1(n) = sh.Coef(n,-m);
1438
- hv2.Range(m,ot+1) = trafo.Rows(m,ot+1).Cols(m,os+1) * hv1.Range(m,os+1);
1439
- for (int n = m; n <= ot; n++)
1440
- target.SH().Coef(n,-m) = hv2(n);
1441
- }
1442
- }
1443
-
1444
-
1445
-
1446
-
1447
-
310
+ void ShiftZ (double z, MultiPole<TARGET> & target);
1448
311
 
1449
312
  };
1450
313
 
@@ -1754,7 +617,7 @@ c
1754
617
  }
1755
618
 
1756
619
 
1757
- class RegularMLMultiPole
620
+ class NGS_DLL_HEADER RegularMLMultiPole
1758
621
  {
1759
622
  static Array<size_t> nodes_on_level;
1760
623
 
@@ -2076,11 +939,15 @@ c
2076
939
 
2077
940
  };
2078
941
 
2079
- Array<size_t> RegularMLMultiPole::nodes_on_level(100);
2080
- Array<size_t> SingularMLMultiPole::nodes_on_level(100);
2081
942
 
943
+
944
+
945
+
946
+
947
+
2082
948
  // ******************** Coefficient Functions *********************
2083
949
 
950
+
2084
951
  class SphericalHarmonicsCF : public CoefficientFunction
2085
952
  {
2086
953
  SphericalHarmonics sh;