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28 #include <Faddeeva/Faddeeva.hh>
37 static constexpr
Index nBmx=7
'000; // Max Number of Bands
38 static constexpr Index nLmx=700; // Max Number of Lines per Band
39 static constexpr Index Nlifmax=10; // Max number of l values
40 static constexpr Index Jmax=131; // Max number of j values
42 static constexpr Numeric Ct=1.4387686e0; // Constant
43 static constexpr Numeric T0=296; // Constant
44 static constexpr Numeric CtGamD=1.1325e-08; // Constant
45 static constexpr Numeric aMolAtm=7.33889e+21; // Constant
47 static constexpr auto aMass = stdarrayify(44.e-3,45.e-3,46.e-3,45.e-3,47.e-3,46.e-3,48.e-3,47.e-3,46.e-3,49.e-3); // Constant
54 std::array<Index, parameters::nBmx> Isot;
55 std::array<Index, parameters::nBmx> nLines;
56 std::array<Index, parameters::nBmx> li;
57 std::array<Index, parameters::nBmx> lf;
58 std::array<String, parameters::nBmx> BandFile;
62 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> Sig;
63 LineSg() : Sig(parameters::nLmx, parameters::nBmx) {};
67 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> Dipo0;
68 DipoRigid() : Dipo0(parameters::nLmx, parameters::nBmx) {};
72 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> E;
73 Energy() : E(parameters::nLmx, parameters::nBmx) {};
77 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWVT0AIR;
78 GamVT0AIR() : HWVT0AIR(parameters::nLmx, parameters::nBmx) {};
82 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWSDVT0AIR;
83 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> rHWT0AIR;
84 GamSDVT0AIR() : HWSDVT0AIR(parameters::nLmx, parameters::nBmx), rHWT0AIR(parameters::nLmx, parameters::nBmx) {};
88 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> BHWAIR;
89 DTGAMAIR() : BHWAIR(parameters::nLmx, parameters::nBmx) {};
93 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWVT0SELF;
94 GamVT0CO2() : HWVT0SELF(parameters::nLmx, parameters::nBmx) {};
98 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWSDVT0SELF;
99 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> rHWT0SELF;
100 GamSDVT0CO2() : HWSDVT0SELF(parameters::nLmx, parameters::nBmx), rHWT0SELF(parameters::nLmx, parameters::nBmx) {};
104 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> BHWSELF;
105 DTGAMCO2() : BHWSELF(parameters::nLmx, parameters::nBmx) {};
109 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWVT0H2O;
110 GamVT0H2O() : HWVT0H2O(parameters::nLmx, parameters::nBmx) {};
114 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> HWSDVT0H2O;
115 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> rHWT0H2O;
116 GamSDVT0H2O() : HWSDVT0H2O(parameters::nLmx, parameters::nBmx), rHWT0H2O(parameters::nLmx, parameters::nBmx) {};
120 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> BHWH2O;
121 DTGAMH2O() : BHWH2O(parameters::nLmx, parameters::nBmx) {};
125 std::array<Numeric, parameters::nLmx> HWT;
126 std::array<Numeric, parameters::nLmx> HWSDV2T;
130 std::array<Numeric, parameters::nLmx> shft;
134 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> shft0;
135 SHIFT0() : shft0(parameters::nLmx, parameters::nBmx) {};
139 std::array<Numeric, parameters::nLmx> PopuT;
143 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> PopuT0;
144 PopTrf() : PopuT0(parameters::nLmx, parameters::nBmx) {};
148 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> DipoT;
149 DipoTcm() : DipoT(parameters::nLmx, parameters::nBmx) {};
153 Eigen::Matrix<Index, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> Ji;
154 Jiln() : Ji(parameters::nLmx, parameters::nBmx) {};
158 Eigen::Matrix<Index, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> Jf;
159 Jfln() : Jf(parameters::nLmx, parameters::nBmx) {};
163 std::array<Complex, parameters::nLmx> ZS;
168 Zaa() noexcept : ZA(parameters::nLmx) {}
172 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> W;
173 Wmatrix() : W(parameters::nLmx, parameters::nLmx) {};
181 W0pp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
182 W0pq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
183 W0pr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
191 W0qp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
192 W0qq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
193 W0qr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
201 W0rp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
202 W0rq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
203 W0rr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
211 B0pp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
212 B0pq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
213 B0pr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
221 B0qp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
222 B0qq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
223 B0qr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
231 B0rp(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
232 B0rq(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax),
233 B0rr(parameters::Nlifmax, parameters::Nlifmax, parameters::Jmax, parameters::Jmax) {}
237 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> OpR;
238 DiagnR() : OpR(parameters::nLmx, parameters::nLmx) {};
242 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> OpI;
243 DiagnI() : OpI(parameters::nLmx, parameters::nLmx) {};
247 std::array<Numeric, parameters::nLmx> YT;
250 struct UnusedBandParams {
251 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> intens;
252 Eigen::Matrix<Numeric, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor> eina;
253 std::array<Rational, parameters::nBmx> iv1;
254 std::array<Rational, parameters::nBmx> iv2;
255 std::array<Rational, parameters::nBmx> il2;
256 std::array<Rational, parameters::nBmx> iv3;
257 std::array<Rational, parameters::nBmx> ir;
258 std::array<Rational, parameters::nBmx> fv1;
259 std::array<Rational, parameters::nBmx> fv2;
260 std::array<Rational, parameters::nBmx> fl2;
261 std::array<Rational, parameters::nBmx> fv3;
262 std::array<Rational, parameters::nBmx> fr;
264 intens(parameters::nLmx, parameters::nBmx),
265 eina(parameters::nLmx, parameters::nBmx) {};
269 Rational toRationalSum(char a, char b=' ')
271 if (b == ' ' and a == ' ')
274 return Rational(a-'0
');
276 return Rational(b-'0
');
278 return Rational(10*(a-'0
') + b-'0
');
281 void readlines(CommonBlock& cmn, const String& basedir="data_new/")
283 if (cmn.Bands.nBand > parameters::nBmx)
284 throw std::runtime_error("Too many bands");
286 for (Index iband=0; iband<cmn.Bands.nBand; iband++) {
287 std::ifstream fortranfile;
288 const String fname = basedir + String("/") + cmn.Bands.BandFile[iband] + String(".dat");
289 fortranfile.open(fname.c_str());
291 if (fortranfile.is_open()) {
293 getline(fortranfile, line);
296 while (fortranfile.good()) {
297 if (nliner >= parameters::nLmx)
298 throw std::runtime_error("Too many lines");
301 char sDipoRigid[21], sPopTrf[21];
302 char iv11, iv12, iv21, iv22, il21, il22, iv31, iv32, ir1, fv11, fv12, fv21, fv22, fl21, fl22, fv31, fv32, fr1;
305 "%c%c" "%1ld" "%12lf" "%10lf"
306 "%10lf" "%5lf" "%5lf" "%4lf"
307 "%5lf" "%5lf" "%4lf" "%10lf"
310 "%c%c" "%c%c" "%c%c" "%c%c" "%c"
312 "%c%c" "%c%c" "%c%c" "%c%c" "%c"
313 "%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c"
314 "%c" "%3ld" "%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c%c"
315 "%5lf" "%5lf" "%4lf" "%5lf"
318 &cmn.Bands.Isot[iband],
319 &cmn.LineSg.Sig(nliner, iband),
320 &cmn.UnusedBandParams.intens(nliner, iband),
321 &cmn.UnusedBandParams.eina(nliner, iband),
322 &cmn.GamVT0AIR.HWVT0AIR(nliner, iband),
323 &cmn.GamSDVT0AIR.HWSDVT0AIR(nliner, iband),
324 &cmn.GamSDVT0AIR.rHWT0AIR(nliner, iband),
325 &cmn.GamVT0CO2.HWVT0SELF(nliner, iband),
326 &cmn.GamSDVT0CO2.HWSDVT0SELF(nliner, iband),
327 &cmn.GamSDVT0CO2.rHWT0SELF(nliner, iband),
328 &cmn.Energy.E(nliner, iband),
329 &cmn.DTGAMAIR.BHWAIR(nliner, iband),
330 &cmn.DTGAMCO2.BHWSELF(nliner, iband),
331 &cmn.SHIFT0.shft0(nliner, iband),
333 &iv11, &iv12, &iv21, &iv22, &il21, &il22, &iv31, &iv32, &ir1, &fv32, &fr1,
335 &fv11, &fv12, &fv21, &fv22, &fl21, &fl22, &fv31,
336 &x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,
338 &cmn.Jiln.Ji(nliner, iband),
339 &x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,&x,
340 &cmn.GamVT0H2O.HWVT0H2O(nliner, iband),
341 &cmn.GamSDVT0H2O.HWSDVT0H2O(nliner, iband),
342 &cmn.GamSDVT0H2O.rHWT0H2O(nliner, iband),
343 &cmn.DTGAMH2O.BHWH2O(nliner, iband),
346 getline(fortranfile, line);
349 cmn.UnusedBandParams.iv1[iband]=Rational(toRationalSum(iv11, iv12));
350 cmn.UnusedBandParams.iv2[iband]=Rational(toRationalSum(iv21, iv22));
351 cmn.UnusedBandParams.il2[iband]=Rational(toRationalSum(il21, il22));
352 cmn.UnusedBandParams.iv3[iband]=Rational(toRationalSum(iv31, iv32));
353 cmn.UnusedBandParams.ir[iband]=Rational(toRationalSum(ir1));
354 cmn.UnusedBandParams.fv1[iband]=Rational(toRationalSum(fv11, fv12));
355 cmn.UnusedBandParams.fv2[iband]=Rational(toRationalSum(fv21, fv22));
356 cmn.UnusedBandParams.fl2[iband]=Rational(toRationalSum(fl21, fl22));
357 cmn.UnusedBandParams.fv3[iband]=Rational(toRationalSum(fv31, fv32));
358 cmn.UnusedBandParams.fr[iband]=Rational(toRationalSum(fr1));
360 cmn.UnusedBandParams.iv1[iband]==Rational(toRationalSum(iv11, iv12)) and
361 cmn.UnusedBandParams.iv2[iband]==Rational(toRationalSum(iv21, iv22)) and
362 cmn.UnusedBandParams.il2[iband]==Rational(toRationalSum(il21, il22)) and
363 cmn.UnusedBandParams.iv3[iband]==Rational(toRationalSum(iv31, iv32)) and
364 cmn.UnusedBandParams.ir[iband]==Rational(toRationalSum(ir1)) and
365 cmn.UnusedBandParams.fv1[iband]==Rational(toRationalSum(fv11, fv12)) and
366 cmn.UnusedBandParams.fv2[iband]==Rational(toRationalSum(fv21, fv22)) and
367 cmn.UnusedBandParams.fl2[iband]==Rational(toRationalSum(fl21, fl22)) and
368 cmn.UnusedBandParams.fv3[iband]==Rational(toRationalSum(fv31, fv32)) and
369 cmn.UnusedBandParams.fr[iband]==Rational(toRationalSum(fr1)))) {
370 throw std::runtime_error("Bad read, bands do not have the same global quantum numbers...");
374 String ssDipoRigid = sDipoRigid;
375 String ssPopTrf = sPopTrf;
376 std::replace(ssDipoRigid.begin(), ssDipoRigid.end(), 'D
', 'E
');
377 std::replace(ssPopTrf.begin(), ssPopTrf.end(), 'D
', 'E
');
378 cmn.DipoRigid.Dipo0(nliner, iband) = std::stod(ssDipoRigid);
379 cmn.PopTrf.PopuT0(nliner, iband) = std::stod(ssPopTrf);
381 // Dipole at temperature
382 cmn.DipoTcm.DipoT(nliner, iband) = std::sqrt(cmn.UnusedBandParams.intens(nliner, iband)/(cmn.PopTrf.PopuT0(nliner,iband) * cmn.LineSg.Sig(nliner,iband) * (1-std::exp(-1.4388*cmn.LineSg.Sig(nliner,iband)/296))));
386 cmn.Jfln.Jf(nliner, iband) = cmn.Jiln.Ji(nliner, iband) - 1;
387 else if (tpline == 'Q
')
388 cmn.Jfln.Jf(nliner, iband) = cmn.Jiln.Ji(nliner, iband);
390 cmn.Jfln.Jf(nliner, iband) = cmn.Jiln.Ji(nliner, iband) + 1;
393 if (cmn.Bands.Isot[iband] == 0)
394 cmn.Bands.Isot[iband] = 10;
398 cmn.Bands.nLines[iband] = nliner;
406 Numeric atob(const Numeric& aa,
407 const std::array<Numeric, NT>& a,
408 const std::array<Numeric, NT>& b)
410 for (size_t i=1; i<NT; i++) {
412 if (i < 2 or i == NT) {
420 Numeric A0D1=a[j-2]-a[j-1]; if (A0D1 == 0) A0D1=0.0001;
421 Numeric A0D2=a[j-2]-a[j]; if (A0D2 == 0) A0D2=0.0001;
422 Numeric A1D1=a[j-1]-a[j-2]; if (A1D1 == 0) A1D1=0.0001;
423 Numeric A1D2=a[j-1]-a[j]; if (A1D2 == 0) A1D2=0.0001;
424 Numeric A2D1=a[j]-a[j-2]; if (A2D1 == 0) A2D1=0.0001;
425 Numeric A2D2=a[j]-a[j-1]; if (A2D2 == 0) A2D2=0.0001;
427 const Numeric A0=(aa-a[j-1])*(aa-a[j])/(A0D1*A0D2);
428 const Numeric A1=(aa-a[j-2])*(aa-a[j])/(A1D1*A1D2);
429 const Numeric A2=(aa-a[j-2])*(aa-a[j-1])/(A2D1*A2D2);
431 return A0*b[j-2] + A1*b[j-1] + A2*b[j];
435 Numeric A0D1=a[j-2]-a[j-1]; if (A0D1 == 0) A0D1=0.0001;
436 Numeric A0D2=a[j-2]-a[j]; if (A0D2 == 0) A0D2=0.0001;
437 Numeric A0D3=a[j-2]-a[j+1]; if (A0D3 == 0) A0D3=0.0001;
438 Numeric A1D1=a[j-1]-a[j-2]; if (A1D1 == 0) A1D1=0.0001;
439 Numeric A1D2=a[j-1]-a[j]; if (A1D2 == 0) A1D2=0.0001;
440 Numeric A1D3=a[j-1]-a[j+1]; if (A1D3 == 0) A1D3=0.0001;
441 Numeric A2D1=a[j]-a[j-2]; if (A2D1 == 0) A2D1=0.0001;
442 Numeric A2D2=a[j]-a[j-1]; if (A2D2 == 0) A2D2=0.0001;
443 Numeric A2D3=a[j]-a[j+1]; if (A2D3 == 0) A2D3=0.0001;
444 Numeric A3D1=a[j+1]-a[j-2]; if (A3D1 == 0) A3D1=0.0001;
445 Numeric A3D2=a[j+1]-a[j-1]; if (A3D2 == 0) A3D2=0.0001;
446 Numeric A3D3=a[j+1]-a[j]; if (A3D3 == 0) A3D3=0.0001;
449 Numeric A0=(aa-a[j-1])*(aa-a[j])*(aa-a[j+1]);
450 A0=A0/(A0D1*A0D2*A0D3);
451 Numeric A1=(aa-a[j-2])*(aa-a[j])*(aa-a[j+1]);
452 A1=A1/(A1D1*A1D2*A1D3);
453 Numeric A2=(aa-a[j-2])*(aa-a[j-1])*(aa-a[j+1]);
454 A2=A2/(A2D1*A2D2*A2D3);
455 Numeric A3=(aa-a[j-2])*(aa-a[j-1])*(aa-a[j]);
456 A3=A3/(A3D1*A3D2*A3D3);
458 return A0*b[j-2] + A1*b[j-1] + A2*b[j] + A3*b[j+1];
463 return std::numeric_limits<Numeric>::quiet_NaN();
466 void qt_co2(const Numeric& t,
471 constexpr auto xgj = stdarrayify(1.,2.,1.,6.,2.,12.,1.,6.,1.,2.,12.);
472 constexpr auto tdat = stdarrayify(60., 85., 110., 135., 160., 185., 210., 235.,
473 260., 285., 310., 335., 360., 385., 410., 435., 460., 485.,
474 510., 535., 560., 585., 610., 635., 660., 685., 710., 735.,
475 760., 785., 810., 835., 860., 885., 910., 935., 960., 985.,
476 1010.,1035.,1060.,1085.,1110.,1135.,1160.,1185.,1210.,1235.,
477 1260.,1285.,1310.,1335.,1360.,1385.,1410.,1435.,1460.,1485.,
478 1510.,1535.,1560.,1585.,1610.,1635.,1660.,1685.,1710.,1735.,
479 1760.,1785.,1810.,1835.,1860.,1885.,1910.,1935.,1960.,1985.,
480 2010.,2035.,2060.,2085.,2110.,2135.,2160.,2185.,2210.,2235.,
481 2260.,2285.,2310.,2335.,2360.,2385.,2410.,2435.,2460.,2485.,
482 2510.,2535.,2560.,2585.,2610.,2635.,2660.,2685.,2710.,2735.,
483 2760.,2785.,2810.,2835.,2860.,2885.,2910.,2935.,2960.,2985.,
485 constexpr auto qoft = stdarrayify(
487 stdarrayify( 0.53642E+02, 0.75947E+02, 0.98292E+02,
488 + 0.12078E+03, 0.14364E+03, 0.16714E+03, 0.19160E+03, 0.21731E+03,
489 + 0.24454E+03, 0.27355E+03, 0.30456E+03, 0.33778E+03, 0.37343E+03,
490 + 0.41170E+03, 0.45280E+03, 0.49692E+03, 0.54427E+03, 0.59505E+03,
491 + 0.64948E+03, 0.70779E+03, 0.77019E+03, 0.83693E+03, 0.90825E+03,
492 + 0.98440E+03, 0.10656E+04, 0.11522E+04, 0.12445E+04, 0.13427E+04,
493 + 0.14471E+04, 0.15580E+04, 0.16759E+04, 0.18009E+04, 0.19334E+04,
494 + 0.20739E+04, 0.22225E+04, 0.23798E+04, 0.25462E+04, 0.27219E+04,
495 + 0.29074E+04, 0.31032E+04, 0.33097E+04, 0.35272E+04, 0.37564E+04,
496 + 0.39976E+04, 0.42514E+04, 0.45181E+04, 0.47985E+04, 0.50929E+04,
497 + 0.54019E+04, 0.57260E+04, 0.60659E+04, 0.64221E+04, 0.67952E+04,
498 + 0.71859E+04, 0.75946E+04, 0.80222E+04, 0.84691E+04, 0.89362E+04,
499 + 0.94241E+04, 0.99335E+04, 0.10465E+05, 0.11020E+05, 0.11598E+05,
500 + 0.12201E+05, 0.12828E+05, 0.13482E+05, 0.14163E+05, 0.14872E+05,
501 + 0.15609E+05, 0.16376E+05, 0.17173E+05, 0.18001E+05, 0.18861E+05,
502 + 0.19754E+05, 0.20682E+05, 0.21644E+05, 0.22643E+05, 0.23678E+05,
503 + 0.24752E+05, 0.25865E+05, 0.27018E+05, 0.28212E+05, 0.29449E+05,
504 + 0.30730E+05, 0.32055E+05, 0.33426E+05, 0.34845E+05, 0.36312E+05,
505 + 0.37828E+05, 0.39395E+05, 0.41015E+05, 0.42688E+05, 0.44416E+05,
506 + 0.46199E+05, 0.48041E+05, 0.49942E+05, 0.51902E+05, 0.53925E+05,
507 + 0.56011E+05, 0.58162E+05, 0.60379E+05, 0.62664E+05, 0.65019E+05,
508 + 0.67444E+05, 0.69942E+05, 0.72515E+05, 0.75163E+05, 0.77890E+05,
509 + 0.80695E+05, 0.83582E+05, 0.86551E+05, 0.89605E+05, 0.92746E+05,
510 + 0.95975E+05, 0.99294E+05, 0.10271E+06, 0.10621E+06, 0.10981E+06,
513 stdarrayify( 0.10728E+03, 0.15189E+03, 0.19659E+03,
514 + 0.24164E+03, 0.28753E+03, 0.33486E+03, 0.38429E+03, 0.43643E+03,
515 + 0.49184E+03, 0.55104E+03, 0.61449E+03, 0.68263E+03, 0.75589E+03,
516 + 0.83468E+03, 0.91943E+03, 0.10106E+04, 0.11085E+04, 0.12137E+04,
517 + 0.13266E+04, 0.14477E+04, 0.15774E+04, 0.17163E+04, 0.18649E+04,
518 + 0.20237E+04, 0.21933E+04, 0.23743E+04, 0.25673E+04, 0.27729E+04,
519 + 0.29917E+04, 0.32245E+04, 0.34718E+04, 0.37345E+04, 0.40132E+04,
520 + 0.43087E+04, 0.46218E+04, 0.49533E+04, 0.53041E+04, 0.56749E+04,
521 + 0.60668E+04, 0.64805E+04, 0.69171E+04, 0.73774E+04, 0.78626E+04,
522 + 0.83736E+04, 0.89114E+04, 0.94772E+04, 0.10072E+05, 0.10697E+05,
523 + 0.11353E+05, 0.12042E+05, 0.12765E+05, 0.13523E+05, 0.14317E+05,
524 + 0.15148E+05, 0.16019E+05, 0.16930E+05, 0.17883E+05, 0.18879E+05,
525 + 0.19920E+05, 0.21008E+05, 0.22143E+05, 0.23328E+05, 0.24563E+05,
526 + 0.25852E+05, 0.27195E+05, 0.28594E+05, 0.30051E+05, 0.31568E+05,
527 + 0.33146E+05, 0.34788E+05, 0.36496E+05, 0.38271E+05, 0.40115E+05,
528 + 0.42031E+05, 0.44021E+05, 0.46086E+05, 0.48230E+05, 0.50453E+05,
529 + 0.52759E+05, 0.55150E+05, 0.57628E+05, 0.60195E+05, 0.62854E+05,
530 + 0.65608E+05, 0.68459E+05, 0.71409E+05, 0.74461E+05, 0.77618E+05,
531 + 0.80883E+05, 0.84258E+05, 0.87746E+05, 0.91350E+05, 0.95073E+05,
532 + 0.98918E+05, 0.10289E+06, 0.10698E+06, 0.11121E+06, 0.11558E+06,
533 + 0.12008E+06, 0.12472E+06, 0.12950E+06, 0.13443E+06, 0.13952E+06,
534 + 0.14475E+06, 0.15015E+06, 0.15571E+06, 0.16143E+06, 0.16732E+06,
535 + 0.17338E+06, 0.17962E+06, 0.18604E+06, 0.19264E+06, 0.19943E+06,
536 + 0.20642E+06, 0.21360E+06, 0.22098E+06, 0.22856E+06, 0.23636E+06,
539 stdarrayify( 0.11368E+03, 0.16096E+03, 0.20833E+03,
540 + 0.25603E+03, 0.30452E+03, 0.35442E+03, 0.40640E+03, 0.46110E+03,
541 + 0.51910E+03, 0.58093E+03, 0.64709E+03, 0.71804E+03, 0.79422E+03,
542 + 0.87607E+03, 0.96402E+03, 0.10585E+04, 0.11600E+04, 0.12689E+04,
543 + 0.13857E+04, 0.15108E+04, 0.16449E+04, 0.17883E+04, 0.19416E+04,
544 + 0.21054E+04, 0.22803E+04, 0.24668E+04, 0.26655E+04, 0.28770E+04,
545 + 0.31021E+04, 0.33414E+04, 0.35956E+04, 0.38654E+04, 0.41516E+04,
546 + 0.44549E+04, 0.47761E+04, 0.51160E+04, 0.54755E+04, 0.58555E+04,
547 + 0.62568E+04, 0.66804E+04, 0.71273E+04, 0.75982E+04, 0.80944E+04,
548 + 0.86169E+04, 0.91666E+04, 0.97446E+04, 0.10352E+05, 0.10990E+05,
549 + 0.11660E+05, 0.12363E+05, 0.13101E+05, 0.13874E+05, 0.14683E+05,
550 + 0.15531E+05, 0.16418E+05, 0.17347E+05, 0.18317E+05, 0.19332E+05,
551 + 0.20392E+05, 0.21499E+05, 0.22654E+05, 0.23859E+05, 0.25116E+05,
552 + 0.26426E+05, 0.27792E+05, 0.29214E+05, 0.30695E+05, 0.32236E+05,
553 + 0.33840E+05, 0.35508E+05, 0.37242E+05, 0.39045E+05, 0.40917E+05,
554 + 0.42862E+05, 0.44881E+05, 0.46977E+05, 0.49152E+05, 0.51407E+05,
555 + 0.53746E+05, 0.56171E+05, 0.58683E+05, 0.61286E+05, 0.63981E+05,
556 + 0.66772E+05, 0.69661E+05, 0.72650E+05, 0.75742E+05, 0.78940E+05,
557 + 0.82246E+05, 0.85664E+05, 0.89196E+05, 0.92845E+05, 0.96613E+05,
558 + 0.10050E+06, 0.10452E+06, 0.10867E+06, 0.11295E+06, 0.11736E+06,
559 + 0.12191E+06, 0.12661E+06, 0.13145E+06, 0.13643E+06, 0.14157E+06,
560 + 0.14687E+06, 0.15232E+06, 0.15794E+06, 0.16372E+06, 0.16968E+06,
561 + 0.17580E+06, 0.18211E+06, 0.18859E+06, 0.19526E+06, 0.20213E+06,
562 + 0.20918E+06, 0.21643E+06, 0.22388E+06, 0.23154E+06, 0.23941E+06,
565 stdarrayify( 0.66338E+03, 0.93923E+03, 0.12156E+04,
566 + 0.14938E+04, 0.17766E+04, 0.20676E+04, 0.23705E+04, 0.26891E+04,
567 + 0.30267E+04, 0.33866E+04, 0.37714E+04, 0.41839E+04, 0.46267E+04,
568 + 0.51023E+04, 0.56132E+04, 0.61618E+04, 0.67508E+04, 0.73827E+04,
569 + 0.80603E+04, 0.87863E+04, 0.95636E+04, 0.10395E+05, 0.11284E+05,
570 + 0.12233E+05, 0.13246E+05, 0.14326E+05, 0.15477E+05, 0.16702E+05,
571 + 0.18005E+05, 0.19390E+05, 0.20861E+05, 0.22422E+05, 0.24077E+05,
572 + 0.25832E+05, 0.27689E+05, 0.29655E+05, 0.31734E+05, 0.33931E+05,
573 + 0.36250E+05, 0.38698E+05, 0.41280E+05, 0.44002E+05, 0.46869E+05,
574 + 0.49886E+05, 0.53062E+05, 0.56400E+05, 0.59909E+05, 0.63594E+05,
575 + 0.67462E+05, 0.71521E+05, 0.75777E+05, 0.80238E+05, 0.84911E+05,
576 + 0.89804E+05, 0.94925E+05, 0.10028E+06, 0.10588E+06, 0.11173E+06,
577 + 0.11785E+06, 0.12423E+06, 0.13090E+06, 0.13785E+06, 0.14510E+06,
578 + 0.15265E+06, 0.16053E+06, 0.16873E+06, 0.17727E+06, 0.18615E+06,
579 + 0.19540E+06, 0.20501E+06, 0.21501E+06, 0.22540E+06, 0.23619E+06,
580 + 0.24740E+06, 0.25904E+06, 0.27112E+06, 0.28365E+06, 0.29664E+06,
581 + 0.31012E+06, 0.32409E+06, 0.33856E+06, 0.35356E+06, 0.36908E+06,
582 + 0.38516E+06, 0.40180E+06, 0.41902E+06, 0.43683E+06, 0.45525E+06,
583 + 0.47429E+06, 0.49397E+06, 0.51431E+06, 0.53532E+06, 0.55702E+06,
584 + 0.57943E+06, 0.60256E+06, 0.62644E+06, 0.65107E+06, 0.67648E+06,
585 + 0.70269E+06, 0.72972E+06, 0.75758E+06, 0.78629E+06, 0.81588E+06,
586 + 0.84636E+06, 0.87775E+06, 0.91008E+06, 0.94337E+06, 0.97763E+06,
587 + 0.10129E+07, 0.10492E+07, 0.10865E+07, 0.11249E+07, 0.11644E+07,
588 + 0.12050E+07, 0.12467E+07, 0.12896E+07, 0.13337E+07, 0.13789E+07,
591 stdarrayify( 0.22737E+03, 0.32194E+03, 0.41671E+03,
592 + 0.51226E+03, 0.60963E+03, 0.71017E+03, 0.81528E+03, 0.92628E+03,
593 + 0.10444E+04, 0.11707E+04, 0.13061E+04, 0.14518E+04, 0.16085E+04,
594 + 0.17772E+04, 0.19588E+04, 0.21542E+04, 0.23644E+04, 0.25903E+04,
595 + 0.28330E+04, 0.30934E+04, 0.33726E+04, 0.36717E+04, 0.39918E+04,
596 + 0.43342E+04, 0.47001E+04, 0.50907E+04, 0.55074E+04, 0.59515E+04,
597 + 0.64244E+04, 0.69276E+04, 0.74626E+04, 0.80310E+04, 0.86344E+04,
598 + 0.92744E+04, 0.99528E+04, 0.10671E+05, 0.11432E+05, 0.12236E+05,
599 + 0.13086E+05, 0.13984E+05, 0.14932E+05, 0.15932E+05, 0.16985E+05,
600 + 0.18096E+05, 0.19265E+05, 0.20495E+05, 0.21788E+05, 0.23148E+05,
601 + 0.24576E+05, 0.26075E+05, 0.27648E+05, 0.29298E+05, 0.31027E+05,
602 + 0.32839E+05, 0.34736E+05, 0.36721E+05, 0.38798E+05, 0.40970E+05,
603 + 0.43240E+05, 0.45611E+05, 0.48087E+05, 0.50671E+05, 0.53368E+05,
604 + 0.56180E+05, 0.59111E+05, 0.62165E+05, 0.65347E+05, 0.68659E+05,
605 + 0.72107E+05, 0.75694E+05, 0.79425E+05, 0.83303E+05, 0.87334E+05,
606 + 0.91522E+05, 0.95872E+05, 0.10039E+06, 0.10507E+06, 0.10994E+06,
607 + 0.11498E+06, 0.12021E+06, 0.12563E+06, 0.13125E+06, 0.13707E+06,
608 + 0.14309E+06, 0.14933E+06, 0.15579E+06, 0.16247E+06, 0.16938E+06,
609 + 0.17653E+06, 0.18392E+06, 0.19156E+06, 0.19946E+06, 0.20761E+06,
610 + 0.21604E+06, 0.22473E+06, 0.23371E+06, 0.24298E+06, 0.25254E+06,
611 + 0.26240E+06, 0.27258E+06, 0.28307E+06, 0.29388E+06, 0.30502E+06,
612 + 0.31651E+06, 0.32834E+06, 0.34052E+06, 0.35307E+06, 0.36599E+06,
613 + 0.37929E+06, 0.39298E+06, 0.40706E+06, 0.42155E+06, 0.43645E+06,
614 + 0.45178E+06, 0.46753E+06, 0.48373E+06, 0.50038E+06, 0.51748E+06,
617 stdarrayify( 0.13267E+04, 0.18785E+04, 0.24314E+04,
618 + 0.29888E+04, 0.35566E+04, 0.41426E+04, 0.47550E+04, 0.54013E+04,
619 + 0.60886E+04, 0.68232E+04, 0.76109E+04, 0.84574E+04, 0.93678E+04,
620 + 0.10348E+05, 0.11402E+05, 0.12536E+05, 0.13755E+05, 0.15065E+05,
621 + 0.16471E+05, 0.17980E+05, 0.19598E+05, 0.21330E+05, 0.23184E+05,
622 + 0.25166E+05, 0.27283E+05, 0.29543E+05, 0.31953E+05, 0.34521E+05,
623 + 0.37256E+05, 0.40164E+05, 0.43256E+05, 0.46541E+05, 0.50026E+05,
624 + 0.53723E+05, 0.57641E+05, 0.61790E+05, 0.66180E+05, 0.70823E+05,
625 + 0.75729E+05, 0.80910E+05, 0.86378E+05, 0.92145E+05, 0.98224E+05,
626 + 0.10463E+06, 0.11137E+06, 0.11846E+06, 0.12592E+06, 0.13375E+06,
627 + 0.14198E+06, 0.15062E+06, 0.15969E+06, 0.16920E+06, 0.17916E+06,
628 + 0.18959E+06, 0.20052E+06, 0.21196E+06, 0.22392E+06, 0.23642E+06,
629 + 0.24949E+06, 0.26314E+06, 0.27740E+06, 0.29227E+06, 0.30779E+06,
630 + 0.32398E+06, 0.34085E+06, 0.35842E+06, 0.37673E+06, 0.39579E+06,
631 + 0.41563E+06, 0.43626E+06, 0.45772E+06, 0.48003E+06, 0.50322E+06,
632 + 0.52730E+06, 0.55232E+06, 0.57829E+06, 0.60524E+06, 0.63320E+06,
633 + 0.66219E+06, 0.69226E+06, 0.72342E+06, 0.75571E+06, 0.78916E+06,
634 + 0.82380E+06, 0.85966E+06, 0.89678E+06, 0.93518E+06, 0.97490E+06,
635 + 0.10160E+07, 0.10585E+07, 0.11023E+07, 0.11477E+07, 0.11946E+07,
636 + 0.12430E+07, 0.12929E+07, 0.13445E+07, 0.13977E+07, 0.14526E+07,
637 + 0.15093E+07, 0.15677E+07, 0.16280E+07, 0.16901E+07, 0.17541E+07,
638 + 0.18200E+07, 0.18880E+07, 0.19579E+07, 0.20300E+07, 0.21042E+07,
639 + 0.21805E+07, 0.22591E+07, 0.23400E+07, 0.24232E+07, 0.25087E+07,
640 + 0.25967E+07, 0.26871E+07, 0.27801E+07, 0.28757E+07, 0.29739E+07,
643 stdarrayify( 0.60334E+02, 0.85430E+02, 0.11058E+03,
644 + 0.13590E+03, 0.16167E+03, 0.18821E+03, 0.21588E+03, 0.24502E+03,
645 + 0.27595E+03, 0.30896E+03, 0.34431E+03, 0.38225E+03, 0.42301E+03,
646 + 0.46684E+03, 0.51397E+03, 0.56464E+03, 0.61907E+03, 0.67753E+03,
647 + 0.74027E+03, 0.80753E+03, 0.87961E+03, 0.95676E+03, 0.10393E+04,
648 + 0.11275E+04, 0.12217E+04, 0.13222E+04, 0.14293E+04, 0.15434E+04,
649 + 0.16648E+04, 0.17940E+04, 0.19312E+04, 0.20769E+04, 0.22315E+04,
650 + 0.23954E+04, 0.25691E+04, 0.27529E+04, 0.29474E+04, 0.31530E+04,
651 + 0.33702E+04, 0.35995E+04, 0.38414E+04, 0.40965E+04, 0.43654E+04,
652 + 0.46484E+04, 0.49464E+04, 0.52598E+04, 0.55892E+04, 0.59353E+04,
653 + 0.62988E+04, 0.66803E+04, 0.70804E+04, 0.74998E+04, 0.79394E+04,
654 + 0.83998E+04, 0.88817E+04, 0.93859E+04, 0.99132E+04, 0.10464E+05,
655 + 0.11040E+05, 0.11642E+05, 0.12270E+05, 0.12925E+05, 0.13609E+05,
656 + 0.14321E+05, 0.15064E+05, 0.15838E+05, 0.16643E+05, 0.17482E+05,
657 + 0.18355E+05, 0.19263E+05, 0.20207E+05, 0.21188E+05, 0.22208E+05,
658 + 0.23267E+05, 0.24366E+05, 0.25508E+05, 0.26692E+05, 0.27921E+05,
659 + 0.29195E+05, 0.30516E+05, 0.31886E+05, 0.33304E+05, 0.34773E+05,
660 + 0.36294E+05, 0.37869E+05, 0.39499E+05, 0.41185E+05, 0.42929E+05,
661 + 0.44732E+05, 0.46596E+05, 0.48522E+05, 0.50513E+05, 0.52569E+05,
662 + 0.54692E+05, 0.56884E+05, 0.59146E+05, 0.61481E+05, 0.63890E+05,
663 + 0.66375E+05, 0.68937E+05, 0.71578E+05, 0.74301E+05, 0.77107E+05,
664 + 0.79998E+05, 0.82976E+05, 0.86043E+05, 0.89201E+05, 0.92452E+05,
665 + 0.95799E+05, 0.99242E+05, 0.10278E+06, 0.10643E+06, 0.11018E+06,
666 + 0.11403E+06, 0.11799E+06, 0.12206E+06, 0.12625E+06, 0.13055E+06,
669 stdarrayify( 0.70354E+03, 0.99615E+03, 0.12893E+04,
670 + 0.15846E+04, 0.18848E+04, 0.21940E+04, 0.25162E+04, 0.28554E+04,
671 + 0.32152E+04, 0.35991E+04, 0.40099E+04, 0.44507E+04, 0.49242E+04,
672 + 0.54332E+04, 0.59802E+04, 0.65681E+04, 0.71996E+04, 0.78776E+04,
673 + 0.86050E+04, 0.93847E+04, 0.10220E+05, 0.11114E+05, 0.12070E+05,
674 + 0.13091E+05, 0.14182E+05, 0.15345E+05, 0.16585E+05, 0.17906E+05,
675 + 0.19311E+05, 0.20805E+05, 0.22393E+05, 0.24078E+05, 0.25865E+05,
676 + 0.27760E+05, 0.29768E+05, 0.31893E+05, 0.34140E+05, 0.36516E+05,
677 + 0.39025E+05, 0.41674E+05, 0.44469E+05, 0.47416E+05, 0.50520E+05,
678 + 0.53789E+05, 0.57229E+05, 0.60847E+05, 0.64650E+05, 0.68645E+05,
679 + 0.72840E+05, 0.77242E+05, 0.81859E+05, 0.86699E+05, 0.91770E+05,
680 + 0.97081E+05, 0.10264E+06, 0.10846E+06, 0.11454E+06, 0.12090E+06,
681 + 0.12754E+06, 0.13447E+06, 0.14171E+06, 0.14927E+06, 0.15715E+06,
682 + 0.16536E+06, 0.17392E+06, 0.18284E+06, 0.19213E+06, 0.20179E+06,
683 + 0.21185E+06, 0.22231E+06, 0.23319E+06, 0.24450E+06, 0.25625E+06,
684 + 0.26845E+06, 0.28112E+06, 0.29427E+06, 0.30791E+06, 0.32206E+06,
685 + 0.33674E+06, 0.35196E+06, 0.36772E+06, 0.38406E+06, 0.40098E+06,
686 + 0.41850E+06, 0.43663E+06, 0.45539E+06, 0.47480E+06, 0.49488E+06,
687 + 0.51564E+06, 0.53710E+06, 0.55928E+06, 0.58219E+06, 0.60586E+06,
688 + 0.63029E+06, 0.65553E+06, 0.68157E+06, 0.70844E+06, 0.73616E+06,
689 + 0.76476E+06, 0.79424E+06, 0.82464E+06, 0.85597E+06, 0.88826E+06,
690 + 0.92153E+06, 0.95580E+06, 0.99108E+06, 0.10274E+07, 0.10648E+07,
691 + 0.11033E+07, 0.11429E+07, 0.11837E+07, 0.12256E+07, 0.12687E+07,
692 + 0.13131E+07, 0.13586E+07, 0.14055E+07, 0.14536E+07, 0.15031E+07,
695 stdarrayify( 0.20518E+04, 0.29051E+04, 0.37601E+04,
696 + 0.46209E+04, 0.54961E+04, 0.63969E+04, 0.73353E+04, 0.83227E+04,
697 + 0.93698E+04, 0.10486E+05, 0.11681E+05, 0.12962E+05, 0.14337E+05,
698 + 0.15815E+05, 0.17403E+05, 0.19110E+05, 0.20942E+05, 0.22909E+05,
699 + 0.25018E+05, 0.27278E+05, 0.29699E+05, 0.32290E+05, 0.35060E+05,
700 + 0.38019E+05, 0.41177E+05, 0.44545E+05, 0.48135E+05, 0.51957E+05,
701 + 0.56023E+05, 0.60346E+05, 0.64938E+05, 0.69812E+05, 0.74981E+05,
702 + 0.80461E+05, 0.86264E+05, 0.92406E+05, 0.98902E+05, 0.10577E+06,
703 + 0.11302E+06, 0.12067E+06, 0.12875E+06, 0.13726E+06, 0.14622E+06,
704 + 0.15566E+06, 0.16559E+06, 0.17604E+06, 0.18702E+06, 0.19855E+06,
705 + 0.21066E+06, 0.22336E+06, 0.23669E+06, 0.25065E+06, 0.26528E+06,
706 + 0.28061E+06, 0.29664E+06, 0.31342E+06, 0.33096E+06, 0.34930E+06,
707 + 0.36845E+06, 0.38845E+06, 0.40933E+06, 0.43111E+06, 0.45383E+06,
708 + 0.47751E+06, 0.50219E+06, 0.52790E+06, 0.55466E+06, 0.58252E+06,
709 + 0.61151E+06, 0.64166E+06, 0.67300E+06, 0.70558E+06, 0.73943E+06,
710 + 0.77458E+06, 0.81108E+06, 0.84896E+06, 0.88827E+06, 0.92904E+06,
711 + 0.97131E+06, 0.10151E+07, 0.10605E+07, 0.11076E+07, 0.11563E+07,
712 + 0.12068E+07, 0.12590E+07, 0.13130E+07, 0.13689E+07, 0.14267E+07,
713 + 0.14865E+07, 0.15483E+07, 0.16121E+07, 0.16781E+07, 0.17462E+07,
714 + 0.18165E+07, 0.18892E+07, 0.19641E+07, 0.20415E+07, 0.21213E+07,
715 + 0.22036E+07, 0.22884E+07, 0.23759E+07, 0.24661E+07, 0.25590E+07,
716 + 0.26547E+07, 0.27533E+07, 0.28549E+07, 0.29594E+07, 0.30670E+07,
717 + 0.31778E+07, 0.32918E+07, 0.34090E+07, 0.35296E+07, 0.36536E+07,
718 + 0.37812E+07, 0.39123E+07, 0.40470E+07, 0.41855E+07, 0.43278E+07,
721 stdarrayify( 0.12066E+03, 0.17085E+03, 0.22116E+03,
722 + 0.27190E+03, 0.32364E+03, 0.37711E+03, 0.43305E+03, 0.49219E+03,
723 + 0.55516E+03, 0.62256E+03, 0.69492E+03, 0.77276E+03, 0.85657E+03,
724 + 0.94685E+03, 0.10441E+04, 0.11488E+04, 0.12614E+04, 0.13826E+04,
725 + 0.15127E+04, 0.16525E+04, 0.18024E+04, 0.19630E+04, 0.21351E+04,
726 + 0.23191E+04, 0.25158E+04, 0.27260E+04, 0.29502E+04, 0.31892E+04,
727 + 0.34438E+04, 0.37148E+04, 0.40031E+04, 0.43094E+04, 0.46346E+04,
728 + 0.49797E+04, 0.53455E+04, 0.57331E+04, 0.61434E+04, 0.65775E+04,
729 + 0.70364E+04, 0.75212E+04, 0.80330E+04, 0.85730E+04, 0.91424E+04,
730 + 0.97423E+04, 0.10374E+05, 0.11039E+05, 0.11738E+05, 0.12474E+05,
731 + 0.13246E+05, 0.14057E+05, 0.14908E+05, 0.15801E+05, 0.16737E+05,
732 + 0.17717E+05, 0.18744E+05, 0.19819E+05, 0.20944E+05, 0.22120E+05,
733 + 0.23349E+05, 0.24634E+05, 0.25975E+05, 0.27376E+05, 0.28837E+05,
734 + 0.30361E+05, 0.31950E+05, 0.33605E+05, 0.35330E+05, 0.37126E+05,
735 + 0.38996E+05, 0.40942E+05, 0.42965E+05, 0.45069E+05, 0.47256E+05,
736 + 0.49528E+05, 0.51888E+05, 0.54338E+05, 0.56882E+05, 0.59521E+05,
737 + 0.62259E+05, 0.65097E+05, 0.68040E+05, 0.71090E+05, 0.74249E+05,
738 + 0.77522E+05, 0.80910E+05, 0.84417E+05, 0.88046E+05, 0.91801E+05,
739 + 0.95684E+05, 0.99699E+05, 0.10385E+06, 0.10814E+06, 0.11257E+06,
740 + 0.11715E+06, 0.12187E+06, 0.12675E+06, 0.13179E+06, 0.13699E+06,
741 + 0.14235E+06, 0.14788E+06, 0.15358E+06, 0.15946E+06, 0.16552E+06,
742 + 0.17176E+06, 0.17819E+06, 0.18482E+06, 0.19164E+06, 0.19867E+06,
743 + 0.20590E+06, 0.21335E+06, 0.22101E+06, 0.22889E+06, 0.23699E+06,
744 + 0.24533E+06, 0.25390E+06, 0.26271E+06, 0.27177E+06, 0.28108E+06,
747 stdarrayify( 0.14071E+04, 0.19923E+04, 0.25789E+04,
748 + 0.31704E+04, 0.37733E+04, 0.43962E+04, 0.50477E+04, 0.57360E+04,
749 + 0.64687E+04, 0.72525E+04, 0.80938E+04, 0.89984E+04, 0.99723E+04,
750 + 0.11021E+05, 0.12150E+05, 0.13366E+05, 0.14673E+05, 0.16079E+05,
751 + 0.17589E+05, 0.19211E+05, 0.20949E+05, 0.22812E+05, 0.24807E+05,
752 + 0.26940E+05, 0.29221E+05, 0.31656E+05, 0.34254E+05, 0.37023E+05,
753 + 0.39972E+05, 0.43111E+05, 0.46449E+05, 0.49996E+05, 0.53762E+05,
754 + 0.57756E+05, 0.61991E+05, 0.66477E+05, 0.71226E+05, 0.76249E+05,
755 + 0.81558E+05, 0.87167E+05, 0.93088E+05, 0.99334E+05, 0.10592E+06,
756 + 0.11286E+06, 0.12016E+06, 0.12785E+06, 0.13594E+06, 0.14444E+06,
757 + 0.15337E+06, 0.16274E+06, 0.17258E+06, 0.18290E+06, 0.19371E+06,
758 + 0.20504E+06, 0.21691E+06, 0.22933E+06, 0.24233E+06, 0.25592E+06,
759 + 0.27012E+06, 0.28496E+06, 0.30046E+06, 0.31663E+06, 0.33351E+06,
760 + 0.35111E+06, 0.36946E+06, 0.38858E+06, 0.40850E+06, 0.42924E+06,
761 + 0.45083E+06, 0.47329E+06, 0.49666E+06, 0.52095E+06, 0.54620E+06,
762 + 0.57243E+06, 0.59967E+06, 0.62796E+06, 0.65732E+06, 0.68778E+06,
763 + 0.71938E+06, 0.75214E+06, 0.78611E+06, 0.82131E+06, 0.85777E+06,
764 + 0.89553E+06, 0.93463E+06, 0.97511E+06, 0.10170E+07, 0.10603E+07,
765 + 0.11051E+07, 0.11514E+07, 0.11993E+07, 0.12488E+07, 0.12999E+07,
766 + 0.13527E+07, 0.14073E+07, 0.14636E+07, 0.15217E+07, 0.15816E+07,
767 + 0.16435E+07, 0.17072E+07, 0.17730E+07, 0.18408E+07, 0.19107E+07,
768 + 0.19827E+07, 0.20569E+07, 0.21334E+07, 0.22121E+07, 0.22931E+07,
769 + 0.23765E+07, 0.24624E+07, 0.25507E+07, 0.26416E+07, 0.27351E+07,
770 + 0.28312E+07, 0.29301E+07, 0.30317E+07, 0.31361E+07, 0.32434E+07,
774 const auto& q = qoft[iso-1];
776 if (t < 70 or t > 3000)
779 qt = atob(t, tdat, q);
782 void calcw(CommonBlock& cmn,
787 for (Index i=0; i<n; i++) {
789 for (Index j=0; j<n; j++) {
790 cmn.Wmatrix.W(i, j) = 0;
794 if (cmn.Bands.li[iband] > 8 or std::abs(cmn.Bands.li[iband] - cmn.Bands.lf[iband]) > 1) {
795 for (Index i=0; i<n; i++) {
796 cmn.Wmatrix.W(i, i) = cmn.GamT.HWT[i];
802 for (Index i=0; i<n; i++) {
803 s[i] = cmn.LineSg.Sig(i, iband) * cmn.PopuT.PopuT[i] * Constant::pow2(cmn.DipoTcm.DipoT(i, iband));
806 for (Index i=0; i<n; i++) {
807 for (Index j=i+1; j<n; j++) {
809 // Switch switches 2 elements in a vector :: std::swap(A(i), A(j));
810 // SwitchTwo switches two elements in a Matrix :: std::swap(A(i, k), A(j, k));
811 // SwitchInt is as SwitchTwo but for Integers :: std::swap(A(i, k), A(j, k));
812 std::swap(cmn.DipoRigid.Dipo0(i, iband), cmn.DipoRigid.Dipo0(j, iband));
813 std::swap(cmn.DipoTcm.DipoT(i, iband), cmn.DipoTcm.DipoT(j, iband));
814 std::swap(cmn.LineSg.Sig(i, iband), cmn.LineSg.Sig(j, iband));
815 std::swap(cmn.Jiln.Ji(i, iband), cmn.Jiln.Ji(j, iband));
816 std::swap(cmn.Jfln.Jf(i, iband), cmn.Jfln.Jf(j, iband));
817 std::swap(cmn.GamT.HWSDV2T[i], cmn.GamT.HWSDV2T[j]);
818 std::swap(cmn.PopuT.PopuT[i], cmn.PopuT.PopuT[j]);
819 std::swap(cmn.SHIFT.shft[i], cmn.SHIFT.shft[j]);
820 std::swap(cmn.GamT.HWT[i], cmn.GamT.HWT[j]);
821 std::swap(s[i], s[j]);
826 const Numeric dlgt0t = std::log(parameters::T0 / temp);
827 const Index lli = std::min(cmn.Bands.li[iband], cmn.Bands.lf[iband]);
828 const Index llf = std::max(cmn.Bands.li[iband], cmn.Bands.lf[iband]);
830 // Set off-diagonal elements
831 for (Index i=0; i<n; i++) {
833 if (cmn.Bands.li[iband] <= cmn.Bands.lf[iband]) {
834 jji=cmn.Jiln.Ji(i, iband);
835 jjf=cmn.Jfln.Jf(i, iband);
837 jji=cmn.Jfln.Jf(i, iband);
838 jjf=cmn.Jiln.Ji(i, iband);
841 for (Index j=0; j<n; j++) {
843 if (cmn.Bands.li[iband] <= cmn.Bands.lf[iband]) {
844 jjip=cmn.Jiln.Ji(j, iband);
845 jjfp=cmn.Jfln.Jf(j, iband);
847 jjip=cmn.Jfln.Jf(j, iband);
848 jjfp=cmn.Jiln.Ji(j, iband);
851 if (jjip > jji) continue;
853 if (cmn.Bands.Isot[iband] > 2 and cmn.Bands.Isot[iband] not_eq 7 and cmn.Bands.Isot[iband] not_eq 10 and (std::abs(cmn.Jiln.Ji(i, iband)-cmn.Jiln.Ji(j, iband)) % 2) not_eq 0) continue;
856 if (jji > jjf and jjip > jjfp) {
857 w0 = cmn.Wfittedp.W0pp(lli, llf, jji, jjip);
858 b0 = cmn.Bfittedp.B0pp(lli, llf, jji, jjip);
859 } else if (jji > jjf and jjip == jjfp) {
860 w0 = cmn.Wfittedp.W0pq(lli, llf, jji, jjip);
861 b0 = cmn.Bfittedp.B0pq(lli, llf, jji, jjip);
862 } else if (jji > jjf and jjip < jjfp) {
863 w0 = cmn.Wfittedp.W0pr(lli, llf, jji, jjip);
864 b0 = cmn.Bfittedp.B0pr(lli, llf, jji, jjip);
865 } else if (jji < jjf and jjip > jjfp) {
866 w0 = cmn.Wfittedr.W0rp(lli, llf, jji, jjip);
867 b0 = cmn.Bfittedr.B0rp(lli, llf, jji, jjip);
868 } else if (jji < jjf and jjip == jjfp) {
869 w0 = cmn.Wfittedr.W0rq(lli, llf, jji, jjip);
870 b0 = cmn.Bfittedr.B0rq(lli, llf, jji, jjip);
871 } else if (jji < jjf and jjip < jjfp) {
872 w0 = cmn.Wfittedr.W0rr(lli, llf, jji, jjip);
873 b0 = cmn.Bfittedr.B0rr(lli, llf, jji, jjip);
874 } else if (jji == jjf and jjip > jjfp) {
875 w0 = cmn.Wfittedq.W0qp(lli, llf, jji, jjip);
876 b0 = cmn.Bfittedq.B0qp(lli, llf, jji, jjip);
877 } else if (jji == jjf and jjip == jjfp) {
878 w0 = cmn.Wfittedq.W0qq(lli, llf, jji, jjip);
879 b0 = cmn.Bfittedq.B0qq(lli, llf, jji, jjip);
880 } else if (jji == jjf and jjip < jjfp) {
881 w0 = cmn.Wfittedq.W0qr(lli, llf, jji, jjip);
882 b0 = cmn.Bfittedq.B0qr(lli, llf, jji, jjip);
885 const Numeric ycal = std::exp(w0 - b0*dlgt0t);
886 cmn.Wmatrix.W(j, i) = ycal;
887 cmn.Wmatrix.W(i, j) = ycal * cmn.PopuT.PopuT[i] / cmn.PopuT.PopuT[j];
891 // Weird undocumented minus sign
892 for (Index i=0; i<n; i++) {
893 for (Index j=0; j<n; j++) {
895 cmn.Wmatrix.W(i, j) = - std::abs(cmn.Wmatrix.W(i, j));
900 // Set diagonal to measured broadening
901 for (Index i=0; i<n; i++) {
902 cmn.Wmatrix.W(i, i) = cmn.GamT.HWT[i];
905 // Sum rule correction
906 for (Index i=0; i<n; i++) {
910 for (Index j=0; j<n; j++) {
911 if (cmn.Bands.Isot[iband] > 2 and cmn.Bands.Isot[iband] not_eq 7 and cmn.Bands.Isot[iband] not_eq 10 and (std::abs(cmn.Jiln.Ji(i, iband)-cmn.Jiln.Ji(j, iband)) % 2) not_eq 0) continue;
914 sumlw += std::abs(cmn.DipoRigid.Dipo0(j, iband)) * cmn.Wmatrix.W(j, i);
916 sumup += std::abs(cmn.DipoRigid.Dipo0(j, iband)) * cmn.Wmatrix.W(j, i);
920 for (Index j=i+1; j<n; j++) {
922 cmn.Wmatrix.W(j, i) = 0.0;
923 cmn.Wmatrix.W(i, j) = 0.0;
925 cmn.Wmatrix.W(j, i) = cmn.Wmatrix.W(j, i) * (- sumup / sumlw);
926 cmn.Wmatrix.W(i, j) = cmn.Wmatrix.W(j, i) * cmn.PopuT.PopuT[i] / cmn.PopuT.PopuT[j];
931 // Rosenkranz coefficients
932 for (Index i=0; i<n; i++) {
934 for (Index j=0; j<n; j++) {
935 if (i == j) continue;
937 if (cmn.Bands.Isot[iband] > 2 and cmn.Bands.Isot[iband] not_eq 7 and cmn.Bands.Isot[iband] not_eq 10 and (std::abs(cmn.Jiln.Ji(i, iband)-cmn.Jiln.Ji(j, iband)) % 2) not_eq 0) continue;
939 Numeric deltasig = cmn.LineSg.Sig(i, iband) - cmn.LineSg.Sig(j, iband);
940 if (std::abs(deltasig) < 1e-4 /*cm-1*/ ) deltasig = 1e-4 /*cm-1*/;
942 sum0 += 2 * std::abs(cmn.DipoTcm.DipoT(j, iband)) / std::abs(std::abs(cmn.DipoTcm.DipoT(i, iband))) * cmn.Wmatrix.W(j, i) / deltasig;
945 cmn.YLT.YT[i] = sum0;
950 // Class not allowed to copy
952 ComplexVector zval, zstr;
953 explicit EqvLinesOut(Index n=0) noexcept : zval(n, 0), zstr(n, 0) {}
954 EqvLinesOut(const EqvLinesOut&) = delete;
955 EqvLinesOut(EqvLinesOut&&) = default;
956 EqvLinesOut& operator=(const EqvLinesOut&) = delete;
957 EqvLinesOut& operator=(EqvLinesOut&&) = default;
961 // Class not allowed to copy
963 Vector Y, hwt, hwt2, shft, f0, pop, dip;
966 explicit ConvTPOut(Index n=0) noexcept : Y(n, 0), hwt(n), hwt2(n), shft(n), f0(n), pop(n), dip(n), W(n, n, 0), eqv(n) {}
967 ConvTPOut(const ConvTPOut&) = delete;
968 ConvTPOut(ConvTPOut&&) = default;
969 ConvTPOut& operator=(const ConvTPOut&) = delete;
970 ConvTPOut& operator=(ConvTPOut&&) = default;
974 void calcw(ConvTPOut& out,
975 const HitranRelaxationMatrixData& hitran,
976 const AbsorptionLines& band,
980 Vector& g0 = out.hwt;
981 Vector& g2 = out.hwt2;
982 Vector& d0 = out.shft;
984 Vector& pop = out.pop;
985 Vector& dip = out.dip;
986 MatrixView W = transpose(out.W.imag()); // Transpose to fit Fortran-code
989 const Index n=Y.nelem();
991 // Copies for local variables
992 const Rational li = band.UpperQuantumNumber(0, QuantumNumberType::l1);
993 const Rational lf = band.LowerQuantumNumber(0, QuantumNumberType::l1);
995 std::vector<Rational> Ji(n), Jf(n);
996 for (Index i=0; i<n; i++) {
997 Ji[i] = band.UpperQuantumNumber(i, QuantumNumberType::J);
998 Jf[i] = band.LowerQuantumNumber(i, QuantumNumberType::J);
999 dip0[i] = Absorption::reduced_rovibrational_dipole(Jf[i], Ji[i], lf, li, 1_rat);
1003 if (li > 8 or abs(li - lf) > 1) {
1004 for (Index i=0; i<n; i++) {
1005 W(i, i) = g0[i]; // nb... units Hz/Pa
1008 for (Index i=0; i<n; i++) {
1009 s[i] = f0[i] * pop[i] * Constant::pow2(dip[i]);
1012 for (Index i=0; i<n; i++) {
1013 for (Index j=i+1; j<n; j++) {
1015 // Switch switches 2 elements in a vector :: std::swap(A(i), A(j));
1016 // SwitchTwo switches two elements in a Matrix :: std::swap(A(i, k), A(j, k));
1017 // SwitchInt is as SwitchTwo but for Integers :: std::swap(A(i, k), A(j, k));
1018 std::swap(Ji[i], Ji[j]);
1019 std::swap(Jf[i], Jf[j]);
1020 std::swap(g0[i], g0[j]);
1021 std::swap(d0[i], d0[j]);
1022 std::swap(g2[i], g2[j]);
1023 std::swap(f0[i], f0[j]);
1024 std::swap(dip[i], dip[j]);
1025 std::swap(pop[i], pop[j]);
1026 std::swap(dip0[i], dip0[j]);
1027 std::swap(s[i], s[j]);
1032 const Numeric dlgt0t = std::log(band.T0() / T);
1033 const Rational lli = std::min(li, lf);
1034 const Rational llf = std::max(li, lf);
1036 // Set off-diagonal elements
1037 for (Index i=0; i<n; i++) {
1047 for (Index j=0; j<n; j++) {
1048 Rational jjip, jjfp;
1057 if (jjip > jji) continue;
1059 // nb. FIX THIS FOR ARTS SPECIFIC Isotopologue
1060 const bool skip = band.Isotopologue() > 2 and
1061 band.Isotopologue() not_eq 7 and
1062 band.Isotopologue() not_eq 10 and
1063 (abs(Ji[i] - Ji[j]) % 2) not_eq 0;
1068 if (jji > jjf and jjip > jjfp) {
1069 w0 = hitran.W0pp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1070 b0 = hitran.B0pp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1071 } else if (jji > jjf and jjip == jjfp) {
1072 w0 = hitran.W0pq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1073 b0 = hitran.B0pq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1074 } else if (jji > jjf and jjip < jjfp) {
1075 w0 = hitran.W0pr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1076 b0 = hitran.B0pr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1077 } else if (jji < jjf and jjip > jjfp) {
1078 w0 = hitran.W0rp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1079 b0 = hitran.B0rp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1080 } else if (jji < jjf and jjip == jjfp) {
1081 w0 = hitran.W0rq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1082 b0 = hitran.B0rq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1083 } else if (jji < jjf and jjip < jjfp) {
1084 w0 = hitran.W0rr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1085 b0 = hitran.B0rr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1086 } else if (jji == jjf and jjip > jjfp) {
1087 w0 = hitran.W0qp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1088 b0 = hitran.B0qp(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1089 } else if (jji == jjf and jjip == jjfp) {
1090 w0 = hitran.W0qq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1091 b0 = hitran.B0qq(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1092 } else if (jji == jjf and jjip < jjfp) {
1093 w0 = hitran.W0qr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1094 b0 = hitran.B0qr(lli.toIndex(), llf.toIndex(), jji.toIndex(), jjip.toIndex());
1097 // nb... should order be different???
1098 const Numeric ycal = std::exp(w0 - b0*dlgt0t);
1100 W(i, j) = ycal * pop[i] / pop[j];
1104 // Weird undocumented minus sign
1105 for (Index i=0; i<n; i++) {
1106 for (Index j=0; j<n; j++) {
1108 W(i, j) = - std::abs(W(i, j));
1113 // Set diagonal to measured broadening
1114 for (Index i=0; i<n; i++) {
1115 W(i, i) = g0[i]; // nb... units Hz/Pa
1118 // Sum rule correction
1119 for (Index i=0; i<n; i++) {
1120 Numeric sumlw = 0.0;
1121 Numeric sumup = 0.0;
1123 for (Index j=0; j<n; j++) {
1125 // nb. FIX THIS FOR ARTS SPECIFIC Isotopologue
1126 const bool skip = band.Isotopologue() > 2 and
1127 band.Isotopologue() not_eq 7 and
1128 band.Isotopologue() not_eq 10 and
1129 (abs(Ji[i] - Ji[j]) % 2) not_eq 0;
1134 sumlw += std::abs(dip0[j]) * W(j, i);
1136 sumup += std::abs(dip0[j]) * W(j, i);
1140 for (Index j=i+1; j<n; j++) {
1145 W(j, i) *= - sumup / sumlw;
1146 W(i, j) = W(j, i) * pop[i] / pop[j];
1151 // Rosenkranz coefficients
1152 for (Index i=0; i<n; i++) {
1154 for (Index j=0; j<n; j++) {
1155 if (i == j) continue;
1157 // nb. FIX THIS FOR ARTS SPECIFIC Isotopologue
1158 const bool skip = band.Isotopologue() > 2 and
1159 band.Isotopologue() not_eq 7 and
1160 band.Isotopologue() not_eq 10 and
1161 (abs(Ji[i] - Ji[j]) % 2) not_eq 0;
1165 Numeric deltasig = f0[i] - f0[j];
1166 if (std::abs(deltasig) < Conversion::kaycm2freq(1e-4 /*cm-1*/))
1167 deltasig = Conversion::kaycm2freq(1e-4) /*Hz*/;
1169 sum0 += 2 * std::abs(dip[j]) / std::abs(dip[i]) * W(j, i) / deltasig;
1178 void eqvlines(CommonBlock& cmn,
1181 const Numeric& sigmoy)
1183 ComplexMatrix zop(n, n), zvec(n, n);
1184 ComplexMatrixView inv_zvec = zop; // Rename to not confuse later operations
1185 ComplexVectorView zval = cmn.Zaa.ZA[Range(0, n)]; // Rename and rescale to right size
1186 for (Index i=0; i<n; i++) {
1187 for (Index j=0; j<n; j++) {
1188 zop(j, i) = Complex(cmn.DiagnR.OpR(i, j), cmn.DiagnI.OpI(i, j)); // nb. reverse from Fortran algorithm due to row-col issues
1192 // Main computations
1193 diagonalize(zvec, zval, zop);
1194 inv(inv_zvec, zvec);
1196 // Add average sigma
1199 // Do the matrix multiplication
1200 for (Index i=0; i<n; i++) {
1203 for (Index j=0; j<n; j++) {
1204 cmn.Zss.ZS[i] += cmn.DipoTcm.DipoT(j, iband) * zvec(j, i);
1205 z += cmn.PopuT.PopuT[j] * cmn.DipoTcm.DipoT(j, iband) * inv_zvec(i, j);
1211 EqvLinesOut eqvlines(const ConstComplexMatrixView W,
1212 const ConstVectorView pop,
1213 const ConstVectorView dip,
1214 const Numeric& fmean)
1217 const Index n = pop.nelem();
1220 ComplexMatrix zvec(n, n);
1223 // Main computations
1224 diagonalize(zvec, out.zval, W);
1226 // Do the matrix forward multiplication
1227 for (Index i=0; i<n; i++) {
1228 for (Index j=0; j<n; j++) {
1229 out.zstr[i] += dip[j] * zvec(j, i);
1233 // Do the matrix backward multiplication
1234 auto& inv_zvec=zvec.inv();
1235 for (Index i=0; i<n; i++) {
1237 for (Index j=0; j<n; j++) {
1238 z += pop[j] * dip[j] * inv_zvec(i, j);
1243 // Add the weighted frequency
1250 void convtp(CommonBlock& cmn,
1253 const Index& nlinec,
1254 const Numeric& xh2o,
1255 const Numeric& xco2,
1256 const Numeric& temp,
1257 const Numeric& ptot,
1259 Numeric& gamd_gam0_mx,
1263 const Numeric ratiot = parameters::T0 / temp;
1264 Numeric qt0_co2, qtt_co2, gsi0, gsit;
1265 qt_co2(parameters::T0, isotc, gsi0, qt0_co2);
1266 qt_co2(temp, isotc, gsit, qtt_co2);
1267 const Numeric ratiopart = qt0_co2 / qtt_co2;
1269 const Numeric sqrtm = std::sqrt(temp / parameters::aMass[isotc-1]);
1273 for (Index iline=0; iline<nlinec; iline++) {
1274 cmn.PopuT.PopuT[iline]=cmn.PopTrf.PopuT0(iline, iband)*ratiopart*std::exp(-parameters::Ct*cmn.Energy.E(iline, iband)*(1/temp-1/parameters::T0));
1276 cmn.GamT.HWT[iline] = ((1-xh2o-xco2) * (cmn.GamSDVT0AIR.HWSDVT0AIR(iline, iband) * std::pow(ratiot, cmn.DTGAMAIR.BHWAIR(iline, iband))))
1277 + (xh2o * (cmn.GamSDVT0H2O.HWSDVT0H2O(iline, iband) * std::pow(ratiot, cmn.DTGAMH2O.BHWH2O(iline, iband))))
1278 + (xco2 * (cmn.GamSDVT0CO2.HWSDVT0SELF(iline, iband) * std::pow(ratiot, cmn.DTGAMCO2.BHWSELF(iline, iband))));
1280 cmn.GamT.HWSDV2T[iline] =
1281 ((1-xh2o-xco2) * (cmn.GamSDVT0AIR.HWSDVT0AIR(iline, iband) * cmn.GamSDVT0AIR.rHWT0AIR(iline, iband) * std::pow(ratiot, cmn.DTGAMAIR.BHWAIR(iline, iband))))
1282 + (xh2o * (cmn.GamSDVT0H2O.HWSDVT0H2O(iline, iband)*cmn.GamSDVT0H2O.rHWT0H2O(iline, iband) * std::pow(ratiot, cmn.DTGAMH2O.BHWH2O(iline, iband))))
1283 + (xco2 * (cmn.GamSDVT0CO2.HWSDVT0SELF(iline, iband) * cmn.GamSDVT0CO2.rHWT0SELF(iline, iband) * std::pow(ratiot, cmn.DTGAMCO2.BHWSELF(iline, iband))));
1285 cmn.GamT.HWT[iline] = ((1-xh2o-xco2) * (cmn.GamVT0AIR.HWVT0AIR(iline,iband) * std::pow(ratiot, cmn.DTGAMAIR.BHWAIR(iline, iband))))
1286 + (xh2o * (cmn.GamVT0H2O.HWVT0H2O(iline, iband) * std::pow(ratiot, cmn.DTGAMH2O.BHWH2O(iline, iband))))
1287 + (xco2 * (cmn.GamVT0CO2.HWVT0SELF(iline, iband) * std::pow(ratiot, cmn.DTGAMCO2.BHWSELF(iline, iband))));
1289 cmn.SHIFT.shft[iline]=cmn.SHIFT0.shft0(iline, iband);
1290 const Numeric wgt = cmn.PopuT.PopuT[iline] * Constant::pow2(cmn.DipoTcm.DipoT(iline, iband));
1292 sigmoy += cmn.LineSg.Sig(iline,iband) * wgt;
1296 calcw(cmn, nlinec, iband, temp);
1298 // Adjust for pressure
1299 for (Index iline=0; iline<nlinec; iline++) {
1300 cmn.GamT.HWT[iline] *= ptot;
1301 cmn.GamT.HWSDV2T[iline] *= ptot;
1302 cmn.YLT.YT[iline] *= ptot;
1303 const Numeric gamd = parameters::CtGamD * cmn.LineSg.Sig(iline, iband) * sqrtm;
1304 gamd_gam0_mx = std::max(gamd_gam0_mx, gamd/cmn.GamT.HWT[iline]);
1308 for (Index iline=0; iline<nlinec; iline++) {
1309 for (Index ilinep=0; ilinep<nlinec; ilinep++) {
1310 cmn.DiagnI.OpI(iline, ilinep) = ptot * cmn.Wmatrix.W(iline, ilinep);
1311 if (iline == ilinep) {
1312 cmn.DiagnR.OpR(iline, iline) = cmn.LineSg.Sig(iline, iband) - sigmoy + cmn.SHIFT.shft[iline] * ptot;
1314 cmn.DiagnR.OpR(iline, ilinep) = 0;
1319 eqvlines(cmn, iband, nlinec, sigmoy);
1323 ConvTPOut convtp(const ConstVectorView vmrs,
1324 const HitranRelaxationMatrixData& hitran,
1325 const AbsorptionLines& band,
1328 const SpeciesAuxData::AuxType& partition_type,
1329 const ArrayOfGriddedField1& partition_data)
1331 const Index n = band.NumLines();
1333 const Numeric QT = single_partition_function(T, partition_type, partition_data);
1334 const Numeric QT0 = single_partition_function(band.T0(), partition_type, partition_data);
1335 const Numeric ratiopart = QT0 / QT;
1340 for (Index i=0; i<n; i++) {
1341 const Numeric pop0 = (band.g_upp(i) / QT0) * boltzman_factor(band.T0(), band.E0(i));
1343 out.f0[i] = band.F0(i);
1344 out.pop[i] = pop0 * ratiopart * boltzman_ratio(T, band.T0(), band.E0(i));
1345 out.hwt[i] = band.Line(i).LineShape().G0(T, band.T0(), 1, vmrs);
1346 out.shft[i] = band.Line(i).LineShape().D0(T, band.T0(), 1, vmrs);
1347 out.dip[i] = std::sqrt(band.I0(i)/(pop0 * band.F0(i) * (1-stimulated_emission(band.T0(), band.F0(i)))));
1348 out.hwt2[i] = band.Line(i).LineShape().G2(T, band.T0(), 1, vmrs);
1349 wgt[i] = out.pop[i] * Constant::pow2(out.dip[i]);
1352 // Calculate the relaxation matrix
1353 calcw(out, hitran, band, T);
1355 // Adjust for pressure
1361 if (band.Population() == Absorption::PopulationType::ByHITRANFullRelmat) {
1362 const Numeric fmean = band.F_mean(wgt);
1363 out.W.diagonal().real() = out.f0;
1364 out.W.diagonal().real() += out.shft;
1365 out.W.diagonal().real() -= fmean;
1367 out.eqv = eqvlines(out.W, out.pop, out.dip, fmean);
1374 void qsdv(const Numeric& sg0,
1375 const Numeric& gamd,
1376 const Numeric& gam0,
1377 const Numeric& gam2,
1378 const Numeric& shift0,
1379 const Numeric& shift2,
1384 using Constant::pow2;
1385 Complex x , y, csqrty, z1, z2, w1, w2, aterm;
1386 Numeric xz1, yz1, xz2, yz2;
1388 const Numeric cte = Constant::sqrt_ln_2 / gamd;
1389 const Numeric pi = Constant::pi;
1390 const Numeric rpi = Constant::sqrt_pi;
1391 const Complex iz = Complex(0, 1);
1393 const Complex c0 = Complex(gam0, shift0);
1394 const Complex c2 = Complex(gam2, shift2);
1395 const Complex c0t = (c0 - 1.5 * c2);
1396 const Complex c2t = c2;
1398 if (std::abs(c2t) == 0) goto label110;
1399 x = (iz * (sg0 - sg) + c0t) / c2t;
1400 y = 1 / pow2(2 * cte * c2t);
1401 csqrty = (gam2 - iz * shift2) / (2 * cte * (pow2(gam2) + pow2(shift2)));
1402 if (std::abs(x) <= 3.e-8*std::abs(y)) goto label120; // IN cgs units
1403 if (std::abs(y) <= 1.e-15*std::abs(x)) goto label140; // IN cgs units
1404 z1 = std::sqrt(x + y) - csqrty;
1405 z2 = z1 + 2 * csqrty;
1412 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1413 w2 = Faddeeva::w(Complex(xz2 ,yz2));
1414 aterm = rpi * cte * (w1 - w2);
1418 z1 = (iz*(sg0-sg)+c0t)*cte;
1422 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1423 aterm = rpi*cte* w1;
1428 z1 = (iz*(sg0-sg)+c0t)*cte;
1429 z2 = std::sqrt(x+y)+csqrty;
1435 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1436 w2 = Faddeeva::w(Complex(xz2 ,yz2));
1437 aterm = rpi * cte * (w1-w2);
1442 if (std::abs(std::sqrt(x)) <= 4.e3) { // IN cgs
1443 const Numeric xxb = - std::sqrt(x).imag();
1444 const Numeric yxb = std::sqrt(x).real();
1445 const Complex wb = Faddeeva::w(Complex(xxb, yxb));
1446 aterm = (2 * rpi / c2t) * (1 / rpi - std::sqrt(x) * wb);
1448 aterm = (1 / c2t) * (1 / x - 1.5 / pow2(x));
1453 const Complex ls_qsdv = (1 / pi) * aterm;
1455 ls_qsdv_r = ls_qsdv.real();
1456 ls_qsdv_i = ls_qsdv.imag();
1460 // nb.qsdv times sg0 is qsdv_si times F0
1461 Complex qsdv_si(const Numeric F0,
1465 const Numeric shift0,
1466 const Numeric shift2,
1469 using Constant::pow2;
1470 Complex x , y, csqrty, z1, z2, w1, w2, aterm;
1471 Numeric xz1, yz1, xz2, yz2;
1473 const Numeric cte = Constant::sqrt_ln_2 / gamd;
1474 const Numeric pi = Constant::pi;
1475 const Numeric rpi = Constant::sqrt_pi;
1476 const Complex iz = Complex(0, 1);
1478 const Complex c0 = Complex(gam0, shift0);
1479 const Complex c2 = Complex(gam2, shift2);
1480 const Complex c0t = (c0 - 1.5 * c2);
1481 const Complex c2t = c2;
1483 if (std::abs(c2t) == 0) goto label110;
1484 x = (iz * (F0 - f) + c0t) / c2t;
1485 y = 1 / pow2(2 * cte * c2t);
1486 csqrty = (gam2 - iz * shift2) / (2 * cte * (pow2(gam2) + pow2(shift2)));
1487 if (std::abs(x) <= 3.e-8*std::abs(y)) goto label120;
1488 if (std::abs(y) <= 1.e-15*std::abs(x)) goto label140;
1489 z1 = std::sqrt(x + y) - csqrty;
1490 z2 = z1 + 2 * csqrty;
1497 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1498 w2 = Faddeeva::w(Complex(xz2 ,yz2));
1499 aterm = rpi * cte * (w1 - w2);
1503 z1 = (iz*(F0 - f) + c0t)*cte;
1507 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1508 aterm = rpi*cte* w1;
1513 z1 = (iz*(F0 - f) + c0t)*cte;
1514 z2 = std::sqrt(x+y)+csqrty;
1520 w1 = Faddeeva::w(Complex(xz1 ,yz1));
1521 w2 = Faddeeva::w(Complex(xz2 ,yz2));
1522 aterm = rpi * cte * (w1-w2);
1527 if (std::abs(std::sqrt(x)) <= 4.e3) { // IN cgs
1528 const Numeric xxb = - std::sqrt(x).imag();
1529 const Numeric yxb = std::sqrt(x).real();
1530 const Complex wb = Faddeeva::w(Complex(xxb, yxb));
1531 aterm = (2 * rpi / c2t) * (1 / rpi - std::sqrt(x) * wb);
1533 aterm = (1 / c2t) * (1 / x - 1.5 / pow2(x));
1538 return (1 / pi) * aterm;
1543 const Numeric& temp,
1544 const Numeric& ptot,
1545 const Numeric& xco2,
1546 const Numeric& xh2o,
1547 const ConstVectorView invcm_grid,
1554 using Constant::pow2;
1555 using Constant::pow3;
1557 constexpr Numeric rdmult = 30;
1559 // Number of points to compute
1560 const Index nsig = invcm_grid.nelem();
1567 constexpr Numeric sq_ln2 = Constant::sqrt_ln_2;
1568 constexpr Numeric sq_ln2pi = sq_ln2 / Constant::sqrt_pi;
1569 const Numeric dens = xco2 * ptot * parameters::aMolAtm / temp;
1570 constexpr Numeric u_pi = Constant::inv_pi;
1571 constexpr Numeric u_sqln2pi = 1 / sq_ln2pi;
1573 for (Index iband=0; iband<cmn.Bands.nBand; iband++) {
1576 convtp(cmn, iband, cmn.Bands.Isot[iband], cmn.Bands.nLines[iband],
1577 xh2o, xco2, temp, ptot, sigmoy, gamdmx, mixfull, mixsdv);
1578 const Numeric sqrtm = std::sqrt(temp / parameters::aMass[cmn.Bands.Isot[iband]-1]);
1580 const Numeric ds0=(70.67e0+104.1e0*0.21e0*std::pow(gamdmx, 6.4))/(1.0+0.21*std::pow(gamdmx, 5.4));
1581 const Numeric ds2=(34.97e0+105.e0*9.e0*std::pow(gamdmx, 3.1))/(1.0+9.0*std::pow(gamdmx, 2.1));
1583 for (Index isig=0; isig<nsig; isig++) {
1584 const Numeric sigc = invcm_grid[isig];
1586 for (Index iline=0; iline<cmn.Bands.nLines[iband]; iline++) {
1587 const Numeric gamd=parameters::CtGamD*cmn.LineSg.Sig(iline,iband)*sqrtm;
1588 const Numeric cte = sq_ln2 / gamd;
1589 const Numeric popudipo = cmn.PopuT.PopuT[iline] * pow2(cmn.DipoTcm.DipoT(iline, iband));
1590 const Numeric dsigc = sigc - cmn.LineSg.Sig(iline, iband) - cmn.SHIFT.shft[iline] * ptot;
1593 if (std::abs(dsigc) / cmn.GamT.HWT[iline] > ds0) {
1594 absv[isig] += popudipo * u_sqln2pi * u_pi * cmn.GamT.HWT[iline] / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc));
1595 absy[isig] += popudipo * u_sqln2pi * u_pi * (cmn.GamT.HWT[iline] + cmn.YLT.YT[iline]*dsigc) / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc));
1596 } else if (std::abs(dsigc) / cmn.GamT.HWT[iline] > ds2 and
1597 std::abs(dsigc) / cmn.GamT.HWT[iline] < ds0) {
1598 const Numeric order2r = cmn.GamT.HWT[iline] / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc))
1599 + 3 * pow2(cmn.GamT.HWSDV2T[iline]) * (pow3(cmn.GamT.HWT[iline]) - 3 * cmn.GamT.HWT[iline]*pow2(dsigc)) /
1600 (2*Constant::pi*pow3(pow2(cmn.GamT.HWT[iline]) + pow2(dsigc)));
1602 const Numeric order2i = dsigc / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc)) +
1603 3 * pow2(cmn.GamT.HWSDV2T[iline]) *(3*pow2(cmn.GamT.HWT[iline])*dsigc-pow3(dsigc)) /
1604 (2*Constant::pi*pow3(pow2(cmn.GamT.HWT[iline]) + pow2(dsigc)));
1606 absv[isig] += popudipo * u_sqln2pi * u_pi * order2r;
1608 absy[isig] += popudipo * u_sqln2pi * u_pi * (order2r + cmn.YLT.YT[iline]*order2i);
1610 const Numeric shft0 = cmn.SHIFT.shft[iline] * ptot;
1613 qsdv(cmn.LineSg.Sig(iline, iband), gamd, cmn.GamT.HWT[iline], cmn.GamT.HWSDV2T[iline], shft0, 0, sigc, wr, wi);
1615 absv[isig] += popudipo * wr * u_sqln2pi;
1617 absy[isig] += popudipo * u_sqln2pi * (wr - cmn.YLT.YT[iline] * wi);
1620 if (std::abs(cmn.LineSg.Sig(iline, iband)-sigc) > (rdmult*gamd)) { // NOTE: Removed in updated version of the code...
1621 absv[isig] += popudipo * u_sqln2pi * u_pi * cmn.GamT.HWT[iline] / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc));
1623 absy[isig] += popudipo * u_sqln2pi * u_pi * (cmn.GamT.HWT[iline] + cmn.YLT.YT[iline] * dsigc) / (pow2(cmn.GamT.HWT[iline]) + pow2(dsigc));
1625 const Numeric yy = cmn.GamT.HWT[iline] * cte;
1626 const Numeric xx= (cmn.LineSg.Sig(iline, iband)+cmn.SHIFT.shft[iline] * ptot - sigc) * cte;
1627 const Complex w = Faddeeva::w(Complex(xx, yy));
1629 absv[isig] += popudipo * w.real() / gamd;
1631 absy[isig] += popudipo * (w.real() - cmn.YLT.YT[iline] * w.imag()) / gamd;
1636 /*const Numeric gamd_int=parameters::CtGamD*(cmn.FicLPR.AlphR[iline] + sigmoy)*sqrtm;
1637 const Numeric cte_int = sq_ln2 / gamd_int;
1638 if (std::abs(cmn.FicLPI.AlphI[iline] + sigmoy - sigc) <= (rdmult*gamd_int)) {
1639 const Complex z = Complex(cmn.FicLPR.AlphR[iline] + sigmoy - sigc, cmn.FicLPI.AlphI[iline]) * cte_int;
1640 const Complex w = Faddeeva::w(z);
1641 absw[isig] += (cmn.FicLSR.SSR[iline] * w.real() - cmn.FicLSI.SSI[iline] * w.imag()) / cte_int;
1643 absw[isig] += u_sqln2pi * u_pi * (cmn.Zss.ZS[iline] / (sigc - cmn.Zaa.ZA[iline])).imag();
1649 for (Index isig=0; isig<nsig; isig++) {
1650 const Numeric sigc = invcm_grid[isig];
1651 const Numeric fact = sigc * (1-std::exp(-parameters::Ct * sigc / temp));
1652 absv[isig] *= fact * dens * sq_ln2pi;
1653 absy[isig] *= fact * dens * sq_ln2pi;
1654 absw[isig] *= fact * dens * sq_ln2pi;
1661 const HitranRelaxationMatrixData& hitran,
1662 const ArrayOfAbsorptionLines& bands,
1663 const ConstVectorView vmrs,
1664 const ConstVectorView f_grid,
1665 const SpeciesAuxData& partition_functions)
1667 using Constant::pow2;
1668 using Constant::pow3;
1670 // Number of points to compute
1671 const Index nf = f_grid.nelem();
1674 Vector absorption(nf, 0);
1676 constexpr Numeric sq_ln2 = Constant::sqrt_ln_2;
1677 constexpr Numeric sq_ln2pi = sq_ln2 / Constant::sqrt_pi;
1678 const Numeric dens = vmrs[2] * number_density(P, T);
1679 constexpr Numeric u_pi = Constant::inv_pi;
1680 constexpr Numeric u_sqln2pi = 1 / sq_ln2pi;
1682 for (Index iband=0; iband<bands.nelem(); iband++) {
1683 auto tp = convtp(vmrs, hitran, bands[iband], T, P, partition_functions.getParamType(bands[iband].QuantumIdentity()), partition_functions.getParam(bands[iband].QuantumIdentity()));
1684 const Numeric GD_div_F0 = Linefunctions::DopplerConstant(T, bands[iband].SpeciesMass());
1686 const bool nolm = not bands[iband].DoLineMixing(P);
1687 const bool sdvp = bands[iband].LineShapeType() == LineShape::Type::SDVP;
1688 const bool vp = bands[iband].LineShapeType() == LineShape::Type::VP;
1689 const bool rosenkranz = bands[iband].Population() == Absorption::PopulationType::ByHITRANRosenkranzRelmat;
1690 const bool full = bands[iband].Population() == Absorption::PopulationType::ByHITRANFullRelmat;
1692 for (Index iv=0; iv<nf; iv++) {
1693 const Numeric f = f_grid[iv];
1696 for (Index iline=0; iline<bands[iband].NumLines(); iline++) {
1697 const Numeric gamd=GD_div_F0 * tp.f0[iline];
1698 const Numeric gamd_mod=GD_div_F0 * tp.eqv.zval[iline].real();
1699 const Numeric cte = sq_ln2 / gamd;
1700 const Numeric cte_mod = sq_ln2 / gamd_mod;
1701 const Numeric popudipo = tp.pop[iline] * pow2(tp.dip[iline]);
1703 if (rosenkranz and sdvp and nolm) {
1704 const Complex w = qsdv_si(tp.f0[iline], gamd, tp.hwt[iline], tp.hwt2[iline], tp.shft[iline], 0, f);
1705 a += popudipo * w.real() * u_sqln2pi;
1706 } else if (rosenkranz and sdvp) {
1707 const Complex w = qsdv_si(tp.f0[iline], gamd, tp.hwt[iline], tp.hwt2[iline], tp.shft[iline], 0, f);
1708 a += popudipo * u_sqln2pi * (Complex(1, tp.Y[iline]) * w).real(); // NB. Changing sign on Y gave positive absorption but is not agreeing with measurements according to HITRAN data
1709 } else if ((rosenkranz and vp and nolm) or (full and nolm)) {
1710 const Numeric yy = tp.hwt[iline] * cte;
1711 const Numeric xx = (tp.f0[iline]+tp.shft[iline] - f) * cte;
1712 const Complex w = Faddeeva::w(Complex(xx, yy));
1713 a += popudipo * w.real() / gamd;
1714 } else if (rosenkranz and vp) {
1715 const Numeric yy = tp.hwt[iline] * cte;
1716 const Numeric xx = (tp.f0[iline]+tp.shft[iline] - f) * cte;
1717 const Complex w = Faddeeva::w(Complex(xx, yy));
1718 a += popudipo * (Complex(1, tp.Y[iline]) * w).real() / gamd; // NB. Changing sign on Y gave positive absorption but is not agreeing with measurements according to HITRAN data
1719 } else if (full and vp) {
1720 const Complex z = (tp.eqv.zval[iline]-f) * cte_mod;
1721 const Complex w = Faddeeva::w(z);
1722 a += (tp.eqv.zstr[iline] * w).real() / gamd_mod;
1724 a += u_sqln2pi * u_pi * (tp.eqv.zstr[iline] / (f - tp.eqv.zval[iline])).imag();
1726 throw std::runtime_error("Cannot understand the combination of calculations requested...");
1730 // Guard to not allow negative absorption inside a band
1732 absorption[iv] += a;
1736 for (Index iv=0; iv<nf; iv++) {
1737 const Numeric f = f_grid[iv];
1738 const Numeric fact = f * (1 - stimulated_emission(T, f));
1739 absorption[iv] *= fact * dens * sq_ln2pi;
1745 void detband(CommonBlock& cmn,
1746 const Numeric& sgminr,
1747 const Numeric& sgmaxr,
1748 const Numeric& stotmax,
1749 const String& basedir="data_new/")
1752 std::ifstream fortranfile;
1753 fortranfile.open(basedir + "/BandInfo.dat");
1755 if (not fortranfile.is_open())
1756 throw std::runtime_error("Cannot read the file. Please make sure you point at BandInfo.dat basedir and have the right to read.");
1759 getline(fortranfile, line);
1760 while (fortranfile.good()) {
1761 Numeric stot, sgmin, sgmax;
1762 Index isotr, lfr, lir, jmxp, jmxq, jmxr;
1763 char c11, c12, c21, c22, c31, c32, c41, c42, c51, c52, x;
1764 sscanf(line.c_str(),
1766 "%c%c" "%1ld" "%c%c"
1767 "%c%c" "%1ld" "%c%c"
1773 "%4ld" "%4ld" "%4ld",
1775 &c11, &c12, &lfr, &c21, &c22,
1776 &c31, &c32, &lir, &c41, &c42,
1781 &x, &x, &x, &x, &x, &x, &x, &x,
1782 &jmxp, &jmxq, &jmxr);
1784 getline(fortranfile, line);
1788 if ((sgminr < sgmax) and (sgmaxr > sgmin)) {
1789 cmn.Bands.Isot[cmn.Bands.nBand] = isotr;
1791 cmn.Bands.Isot[cmn.Bands.nBand] = 10;
1793 cmn.Bands.li[cmn.Bands.nBand] = lir;
1794 cmn.Bands.lf[cmn.Bands.nBand] = lfr;
1796 if (jmxp < 40 or jmxr < 40) cmn.Bands.li[cmn.Bands.nBand] = 55;
1797 if (jmxq >= 0 and jmxq < 40) cmn.Bands.li[cmn.Bands.nBand] = 55;
1799 sprintf(name, "S%ld%c%c%ld%c%c%c%c%ld%c%c%c%c", isotr, c11, c12, lfr, c21, c22, c31, c32, lir, c41, c42, c51, c52);
1800 cmn.Bands.BandFile[cmn.Bands.nBand] = name;
1802 if (cmn.Bands.nBand > parameters::nBmx) {
1803 throw std::runtime_error("Too many bands");
1807 fortranfile.close();
1810 void readw(CommonBlock& cmn, const String& basedir="data_new/")
1812 for (Index l=0; l<=8; l++) {
1813 for (Index ideltal=0; ideltal<=1; ideltal++) {
1814 const Index lli = l;
1815 const Index llf = l + ideltal;
1817 const String cr = std::to_string(lli) + std::to_string(llf);
1819 std::ifstream fortranfile;
1820 const String fname = basedir + String("/WTfit") + cr + String(".dat");
1821 fortranfile.open(fname.c_str());
1824 getline(fortranfile, line);
1825 while (fortranfile.good()) {
1826 char sw0r[21], sb0r[21];
1827 Numeric dmaxdt, wtmax;
1828 Index jic, jfc, jipc, jfpc;
1829 sscanf(line.c_str(),
1832 "%4ld" "%4ld" "%4ld" "%4ld",
1833 sw0r, sb0r, &dmaxdt, &wtmax, &jic, &jfc, &jipc, &jfpc);
1834 String ssw0r = sw0r;
1835 std::replace(ssw0r.begin(), ssw0r.end(), 'D
', 'E
');
1836 const Numeric w0r = std::stod(ssw0r);
1837 String ssb0r = sb0r;
1838 std::replace(ssb0r.begin(), ssb0r.end(), 'D
', 'E
');
1839 const Numeric b0r = std::stod(ssb0r);
1841 getline(fortranfile, line);
1843 if (lli > cmn.Wfittedp.W0pp.nbooks() or
1844 llf > cmn.Wfittedp.W0pp.npages() or
1845 jic > cmn.Wfittedp.W0pp.nrows() or
1846 jipc > cmn.Wfittedp.W0pp.ncols())
1847 throw std::runtime_error("Out of bounds in reading...");
1849 if (jic > jfc and jipc > jfpc) {
1850 cmn.Wfittedp.W0pp(lli,llf,jic,jipc) = w0r;
1851 cmn.Bfittedp.B0pp(lli,llf,jic,jipc) = b0r;
1852 } else if(jic > jfc and jipc == jfpc) {
1853 cmn.Wfittedp.W0pq(lli,llf,jic,jipc) = w0r;
1854 cmn.Bfittedp.B0pq(lli,llf,jic,jipc) = b0r;
1855 } else if(jic > jfc and jipc < jfpc) {
1856 cmn.Wfittedp.W0pr(lli,llf,jic,jipc) = w0r;
1857 cmn.Bfittedp.B0pr(lli,llf,jic,jipc) = b0r;
1858 } else if(jic < jfc and jipc > jfpc) {
1859 cmn.Wfittedr.W0rp(lli,llf,jic,jipc) = w0r;
1860 cmn.Bfittedr.B0rp(lli,llf,jic,jipc) = b0r;
1861 } else if(jic < jfc and jipc == jfpc) {
1862 cmn.Wfittedr.W0rq(lli,llf,jic,jipc) = w0r;
1863 cmn.Bfittedr.B0rq(lli,llf,jic,jipc) = b0r;
1864 } else if(jic < jfc and jipc < jfpc) {
1865 cmn.Wfittedr.W0rr(lli,llf,jic,jipc) = w0r;
1866 cmn.Bfittedr.B0rr(lli,llf,jic,jipc) = b0r;
1867 } else if(jic == jfc and jipc > jfpc) {
1868 cmn.Wfittedq.W0qp(lli,llf,jic,jipc) = w0r;
1869 cmn.Bfittedq.B0qp(lli,llf,jic,jipc) = b0r;
1870 } else if(jic == jfc and jipc == jfpc) {
1871 cmn.Wfittedq.W0qq(lli,llf,jic,jipc) = w0r;
1872 cmn.Bfittedq.B0qq(lli,llf,jic,jipc) = b0r;
1873 } else if(jic == jfc and jipc < jfpc) {
1874 cmn.Wfittedq.W0qr(lli,llf,jic,jipc) = w0r;
1875 cmn.Bfittedq.B0qr(lli,llf,jic,jipc) = b0r;
1882 Vector compute(const Numeric p, const Numeric t, const Numeric xco2, const Numeric xh2o, const ConstVectorView invcm_grid, const Numeric stotmax, const calctype type)
1884 const Index n = invcm_grid.nelem();
1885 Vector absorption(n);
1889 // Common setup and main IO
1891 detband(cmn, invcm_grid[0], invcm_grid[n-1], stotmax);
1898 if (type == calctype::FullVP or type == calctype::FullRosenkranz or type == calctype::FullW)
1899 compabs(cmn, t,p, xco2, xh2o, invcm_grid, false, true, absv, absy, absw);
1900 else if (type == calctype::SDVP or type == calctype::SDRosenkranz or type == calctype::SDW)
1901 compabs(cmn, t,p, xco2, xh2o, invcm_grid, true, false, absv, absy, absw);
1902 else if (type == calctype::NoneVP or type == calctype::NoneRosenkranz or type == calctype::NoneW)
1903 compabs(cmn, t,p, xco2, xh2o, invcm_grid, false, false, absv, absy, absw);
1906 case calctype::FullVP:
1907 case calctype::SDVP:
1908 case calctype::NoneVP:
1909 for (Index i=0; i<n; i++)
1910 absorption[i] = absv[i];
1912 case calctype::FullRosenkranz:
1913 case calctype::SDRosenkranz:
1914 case calctype::NoneRosenkranz:
1915 for (Index i=0; i<n; i++)
1916 absorption[i] = absy[i];
1918 case calctype::FullW:
1920 case calctype::NoneW:
1921 for (Index i=0; i<n; i++)
1922 absorption[i] = absw[i];
1929 Vector compute(const HitranRelaxationMatrixData& hitran,
1930 const ArrayOfAbsorptionLines& bands,
1933 const ConstVectorView vmrs,
1934 const ConstVectorView f_grid,
1935 const SpeciesAuxData& partition_functions)
1937 return f_grid.nelem() ? compabs(T, P, hitran, bands, vmrs, f_grid, partition_functions) : Vector(0);
1940 void read(HitranRelaxationMatrixData& hitran, ArrayOfAbsorptionLines& bands, const String& basedir, const Numeric linemixinglimit, const Numeric fmin, const Numeric fmax, const Numeric stot, const ModeOfLineMixing mode)
1942 String newbase = basedir;
1943 if (newbase.nelem() == 0)
1947 detband(cmn, Conversion::freq2kaycm(fmin), Conversion::freq2kaycm(fmax), Conversion::arts2hitran_linestrength(stot), newbase);
1948 readw(cmn, newbase);
1949 readlines(cmn, newbase);
1951 Numeric linemixinglimit_internal=0;
1953 case ModeOfLineMixing::VP:
1954 case ModeOfLineMixing::SDVP: break;
1955 case ModeOfLineMixing::FullW:
1956 case ModeOfLineMixing::VP_W:
1957 case ModeOfLineMixing::VP_Y:
1958 case ModeOfLineMixing::SDVP_Y: linemixinglimit_internal=linemixinglimit; break;
1959 default: throw std::runtime_error("Bad mode input. Must update function.");
1962 const auto lstype = typeLP(mode) ?
1963 LineShape::Type::LP :
1965 LineShape::Type::VP :
1966 LineShape::Type::SDVP) ;
1967 const auto poptype = typeFull(mode) ?
1968 Absorption::PopulationType::ByHITRANFullRelmat :
1969 Absorption::PopulationType::ByHITRANRosenkranzRelmat ;
1971 auto specs=stdarrayify(
1972 SpeciesTag("CO2-626"),
1973 SpeciesTag("CO2-636"),
1974 SpeciesTag("CO2-628"),
1975 SpeciesTag("CO2-627"),
1976 SpeciesTag("CO2-638"),
1977 SpeciesTag("CO2-637"),
1978 SpeciesTag("CO2-828"),
1979 SpeciesTag("CO2-728"),
1980 SpeciesTag("CO2-727"),
1981 SpeciesTag("CO2-838"),
1982 SpeciesTag("CO2-837"));
1984 // Move data from Fortran-style common block to ARTS
1985 hitran.B0pp = std::move(cmn.Bfittedp.B0pp);
1986 hitran.B0pq = std::move(cmn.Bfittedp.B0pq);
1987 hitran.B0pr = std::move(cmn.Bfittedp.B0pr);
1988 hitran.W0pp = std::move(cmn.Wfittedp.W0pp);
1989 hitran.W0pq = std::move(cmn.Wfittedp.W0pq);
1990 hitran.W0pr = std::move(cmn.Wfittedp.W0pr);
1991 hitran.B0qp = std::move(cmn.Bfittedq.B0qp);
1992 hitran.B0qq = std::move(cmn.Bfittedq.B0qq);
1993 hitran.B0qr = std::move(cmn.Bfittedq.B0qr);
1994 hitran.W0qp = std::move(cmn.Wfittedq.W0qp);
1995 hitran.W0qq = std::move(cmn.Wfittedq.W0qq);
1996 hitran.W0qr = std::move(cmn.Wfittedq.W0qr);
1997 hitran.B0rp = std::move(cmn.Bfittedr.B0rp);
1998 hitran.B0rq = std::move(cmn.Bfittedr.B0rq);
1999 hitran.B0rr = std::move(cmn.Bfittedr.B0rr);
2000 hitran.W0rp = std::move(cmn.Wfittedr.W0rp);
2001 hitran.W0rq = std::move(cmn.Wfittedr.W0rq);
2002 hitran.W0rr = std::move(cmn.Wfittedr.W0rr);
2004 // Reshape to band count size
2005 bands.resize(cmn.Bands.nBand);
2006 for (Index i{0}; i<cmn.Bands.nBand; i++) {
2007 QuantumNumbers outer_upper;
2008 outer_upper[QuantumNumberType::l1] = Rational(cmn.Bands.li[i]);
2009 outer_upper[QuantumNumberType::v1] = cmn.UnusedBandParams.iv1[i];
2010 outer_upper[QuantumNumberType::v2] = cmn.UnusedBandParams.iv2[i];
2011 outer_upper[QuantumNumberType::l2] = cmn.UnusedBandParams.il2[i];
2012 outer_upper[QuantumNumberType::v3] = cmn.UnusedBandParams.iv3[i];
2013 outer_upper[QuantumNumberType::r] = cmn.UnusedBandParams.ir[i];
2014 QuantumNumbers outer_lower;
2015 outer_lower[QuantumNumberType::l1] = Rational(cmn.Bands.lf[i]);
2016 outer_lower[QuantumNumberType::v1] = cmn.UnusedBandParams.fv1[i];
2017 outer_lower[QuantumNumberType::v2] = cmn.UnusedBandParams.fv2[i];
2018 outer_lower[QuantumNumberType::l2] = cmn.UnusedBandParams.fl2[i];
2019 outer_lower[QuantumNumberType::v3] = cmn.UnusedBandParams.fv3[i];
2020 outer_lower[QuantumNumberType::r] = cmn.UnusedBandParams.fr[i];
2024 Absorption::CutoffType::None,
2025 Absorption::MirroringType::None,
2027 Absorption::NormalizationType::None,
2031 linemixinglimit_internal,
2032 {specs[cmn.Bands.Isot[i]-1].Species(),
2033 specs[cmn.Bands.Isot[i]-1].Isotopologue(),
2034 outer_upper, outer_lower},
2035 {QuantumNumberType::J},
2036 {SpeciesTag("N2"), SpeciesTag("H2O"), specs[cmn.Bands.Isot[i]-1]}};
2038 bands[i].AllLines().resize(cmn.Bands.nLines[i]);
2039 for (Index j{0}; j<cmn.Bands.nLines[i]; j++) {
2040 const std::vector<Rational> inner_upper{Rational(cmn.Jiln.Ji(j, i))};
2041 const std::vector<Rational> inner_lower{Rational(cmn.Jfln.Jf(j, i))};
2043 const LineShape::ModelParameters G0_sdvp_air{LineShape::TemperatureModel::T1,
2044 Conversion::hitran2arts_broadening(cmn.GamSDVT0AIR.HWSDVT0AIR(j, i)),
2045 cmn.DTGAMAIR.BHWAIR(j, i)};
2046 const LineShape::ModelParameters G0_sdvp_h2o{LineShape::TemperatureModel::T1,
2047 Conversion::hitran2arts_broadening(cmn.GamSDVT0H2O.HWSDVT0H2O(j, i)),
2048 cmn.DTGAMH2O.BHWH2O(j, i)};
2049 const LineShape::ModelParameters G0_sdvp_co2{LineShape::TemperatureModel::T1,
2050 Conversion::hitran2arts_broadening(cmn.GamSDVT0CO2.HWSDVT0SELF(j, i)),
2051 cmn.DTGAMCO2.BHWSELF(j, i)};
2053 LineShape::ModelParameters G2_sdvp_air{G0_sdvp_air}; G2_sdvp_air.X0 *= cmn.GamSDVT0AIR.rHWT0AIR(j, i);
2054 LineShape::ModelParameters G2_sdvp_h2o{G0_sdvp_h2o}; G2_sdvp_h2o.X0 *= cmn.GamSDVT0H2O.rHWT0H2O(j, i);
2055 LineShape::ModelParameters G2_sdvp_co2{G0_sdvp_co2}; G2_sdvp_co2.X0 *= cmn.GamSDVT0CO2.rHWT0SELF(j, i);
2057 const LineShape::ModelParameters D0{LineShape::TemperatureModel::T0, Conversion::hitran2arts_broadening(cmn.SHIFT0.shft0(j, i))};
2059 const LineShape::ModelParameters G0_vp_air{LineShape::TemperatureModel::T1,
2060 Conversion::hitran2arts_broadening(cmn.GamVT0AIR.HWVT0AIR(j, i)),
2061 cmn.DTGAMAIR.BHWAIR(j, i)};
2062 const LineShape::ModelParameters G0_vp_h2o{LineShape::TemperatureModel::T1,
2063 Conversion::hitran2arts_broadening(cmn.GamVT0H2O.HWVT0H2O(j, i)),
2064 cmn.DTGAMH2O.BHWH2O(j, i)};
2065 const LineShape::ModelParameters G0_vp_co2{LineShape::TemperatureModel::T1,
2066 Conversion::hitran2arts_broadening(cmn.GamVT0CO2.HWVT0SELF(j, i)),
2067 cmn.DTGAMCO2.BHWSELF(j, i)};
2069 const LineShape::SingleSpeciesModel sdvp_air{G0_sdvp_air, D0, G2_sdvp_air};
2070 const LineShape::SingleSpeciesModel sdvp_h2o{G0_sdvp_h2o, D0, G2_sdvp_h2o};
2071 const LineShape::SingleSpeciesModel sdvp_co2{G0_sdvp_co2, D0, G2_sdvp_co2};
2072 const LineShape::SingleSpeciesModel vp_air{G0_vp_air, D0};
2073 const LineShape::SingleSpeciesModel vp_h2o{G0_vp_h2o, D0};
2074 const LineShape::SingleSpeciesModel vp_co2{G0_vp_co2, D0};
2075 const auto lsmodel = typeVP(mode) ?
2076 LineShape::Model{{vp_air, vp_h2o, vp_co2}} :
2077 LineShape::Model{{sdvp_air, sdvp_h2o, sdvp_co2}};
2079 Numeric qt0_co2, gsi0;
2080 qt_co2(parameters::T0, cmn.Bands.Isot[i], gsi0, qt0_co2);
2082 // Should probably use the isotopologue ratio
2083 bands[i].Line(j) = {Conversion::kaycm2freq(cmn.LineSg.Sig(j, i)),
2084 Conversion::hitran2arts_linestrength(cmn.UnusedBandParams.intens(j, i)),
2085 Conversion::hitran2arts_energy(cmn.Energy.E(j, i)),
2086 gsi0*Numeric(cmn.Jfln.Jf(j, i) * 2 + 1),
2087 gsi0*Numeric(cmn.Jiln.Ji(j, i) * 2 + 1),
2088 cmn.UnusedBandParams.eina(j, i),
Stuff related to lineshape functions.
Parameters parameters
Holds the command line parameters.
This file contains declerations of functions of physical character.
Linear algebra functions.
INDEX Index
The type to use for all integer numbers and indices.
Namespace and functions to deal with HITRAN linemixing.