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25 // 25 //
26 // 26 //
27 // 27 //
28 // Author: Alexander Bagulya 28 // Author: Alexander Bagulya
29 // 11 March 2012 29 // 11 March 2012
30 // on the base of G4LivermoreComptonMo 30 // on the base of G4LivermoreComptonModel
31 // 31 //
32 // History: 32 // History:
33 // -------- 33 // --------
34 // 18 Apr 2009 V Ivanchenko Cleanup initiali 34 // 18 Apr 2009 V Ivanchenko Cleanup initialisation and generation of secondaries:
35 // - apply internal high-ener 35 // - apply internal high-energy limit only in constructor
36 // - do not apply low-energy 36 // - do not apply low-energy limit (default is 0)
37 // - remove GetMeanFreePath m 37 // - remove GetMeanFreePath method and table
38 // - added protection against 38 // - added protection against numerical problem in energy sampling
39 // - use G4ElementSelector 39 // - use G4ElementSelector
40 // 26 Dec 2010 V Ivanchenko Load data tables 40 // 26 Dec 2010 V Ivanchenko Load data tables only once to avoid memory leak
41 41
42 #include "G4LivermoreComptonModel.hh" 42 #include "G4LivermoreComptonModel.hh"
43 43
44 #include "G4AtomicShell.hh" 44 #include "G4AtomicShell.hh"
45 #include "G4AutoLock.hh" 45 #include "G4AutoLock.hh"
46 #include "G4DopplerProfile.hh" 46 #include "G4DopplerProfile.hh"
47 #include "G4Electron.hh" 47 #include "G4Electron.hh"
48 #include "G4Exp.hh" 48 #include "G4Exp.hh"
49 #include "G4Log.hh" 49 #include "G4Log.hh"
50 #include "G4LossTableManager.hh" 50 #include "G4LossTableManager.hh"
51 #include "G4ParticleChangeForGamma.hh" 51 #include "G4ParticleChangeForGamma.hh"
52 #include "G4PhysicalConstants.hh" 52 #include "G4PhysicalConstants.hh"
53 #include "G4ShellData.hh" 53 #include "G4ShellData.hh"
54 #include "G4SystemOfUnits.hh" 54 #include "G4SystemOfUnits.hh"
55 #include "G4VAtomDeexcitation.hh" 55 #include "G4VAtomDeexcitation.hh"
56 56
57 //....oooOO0OOooo........oooOO0OOooo........oo 57 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
58 58
59 namespace 59 namespace
60 { 60 {
61 G4Mutex LivermoreComptonModelMutex = G4MUTEX_I 61 G4Mutex LivermoreComptonModelMutex = G4MUTEX_INITIALIZER;
62 } 62 }
63 using namespace std; 63 using namespace std;
64 64
65 G4PhysicsFreeVector* G4LivermoreComptonModel:: 65 G4PhysicsFreeVector* G4LivermoreComptonModel::data[] = {nullptr};
66 G4ShellData* G4LivermoreComptonModel::shellDat 66 G4ShellData* G4LivermoreComptonModel::shellData = nullptr;
67 G4DopplerProfile* G4LivermoreComptonModel::pro 67 G4DopplerProfile* G4LivermoreComptonModel::profileData = nullptr;
68 G4String G4LivermoreComptonModel::gDataDirecto 68 G4String G4LivermoreComptonModel::gDataDirectory = "";
69 69
70 static const G4double ln10 = G4Log(10.); 70 static const G4double ln10 = G4Log(10.);
71 71
72 G4LivermoreComptonModel::G4LivermoreComptonMod 72 G4LivermoreComptonModel::G4LivermoreComptonModel(const G4ParticleDefinition*, const G4String& nam)
73 : G4VEmModel(nam) 73 : G4VEmModel(nam)
74 { 74 {
75 fParticleChange = nullptr; 75 fParticleChange = nullptr;
76 verboseLevel = 1; 76 verboseLevel = 1;
77 // Verbosity scale: 77 // Verbosity scale:
78 // 0 = nothing 78 // 0 = nothing
79 // 1 = warning for energy non-conservation 79 // 1 = warning for energy non-conservation
80 // 2 = details of energy budget 80 // 2 = details of energy budget
81 // 3 = calculation of cross sections, file o 81 // 3 = calculation of cross sections, file openings, sampling of atoms
82 // 4 = entering in methods 82 // 4 = entering in methods
83 83
84 if (verboseLevel > 1) { 84 if (verboseLevel > 1) {
85 G4cout << "Livermore Compton model is cons 85 G4cout << "Livermore Compton model is constructed " << G4endl;
86 } 86 }
87 87
88 // Mark this model as "applicable" for atomi 88 // Mark this model as "applicable" for atomic deexcitation
89 SetDeexcitationFlag(true); 89 SetDeexcitationFlag(true);
90 90
91 fParticleChange = nullptr; 91 fParticleChange = nullptr;
92 fAtomDeexcitation = nullptr; 92 fAtomDeexcitation = nullptr;
93 } 93 }
94 94
95 //....oooOO0OOooo........oooOO0OOooo........oo 95 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
96 96
97 G4LivermoreComptonModel::~G4LivermoreComptonMo 97 G4LivermoreComptonModel::~G4LivermoreComptonModel()
98 { 98 {
99 if (IsMaster()) { 99 if (IsMaster()) {
100 delete shellData; 100 delete shellData;
101 shellData = nullptr; 101 shellData = nullptr;
102 delete profileData; 102 delete profileData;
103 profileData = nullptr; 103 profileData = nullptr;
104 for (G4int i = 0; i <= maxZ; ++i) { 104 for (G4int i = 0; i <= maxZ; ++i) {
105 if (data[i]) { 105 if (data[i]) {
106 delete data[i]; 106 delete data[i];
107 data[i] = nullptr; 107 data[i] = nullptr;
108 } 108 }
109 } 109 }
110 } 110 }
111 } 111 }
112 112
113 //....oooOO0OOooo........oooOO0OOooo........oo 113 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
114 114
115 void G4LivermoreComptonModel::Initialise(const 115 void G4LivermoreComptonModel::Initialise(const G4ParticleDefinition* particle,
116 const 116 const G4DataVector& cuts)
117 { 117 {
118 if (verboseLevel > 1) { 118 if (verboseLevel > 1) {
119 G4cout << "Calling G4LivermoreComptonModel 119 G4cout << "Calling G4LivermoreComptonModel::Initialise()" << G4endl;
120 } 120 }
121 121
122 // Initialise element selector 122 // Initialise element selector
123 if (IsMaster()) { 123 if (IsMaster()) {
124 // Initialise element selector 124 // Initialise element selector
125 InitialiseElementSelectors(particle, cuts) 125 InitialiseElementSelectors(particle, cuts);
126 126
127 // Access to elements 127 // Access to elements
128 const G4ElementTable* elemTable = G4Elemen 128 const G4ElementTable* elemTable = G4Element::GetElementTable();
129 size_t numElems = (*elemTable).size(); 129 size_t numElems = (*elemTable).size();
130 for (size_t ie = 0; ie < numElems; ++ie) { 130 for (size_t ie = 0; ie < numElems; ++ie) {
131 const G4Element* elem = (*elemTable)[ie] 131 const G4Element* elem = (*elemTable)[ie];
132 const G4int Z = std::min(maxZ, elem->Get 132 const G4int Z = std::min(maxZ, elem->GetZasInt());
133 if (data[Z] == nullptr) { 133 if (data[Z] == nullptr) {
134 ReadData(Z); 134 ReadData(Z);
135 } 135 }
136 } 136 }
137 137
138 // For Doppler broadening 138 // For Doppler broadening
139 if (shellData == nullptr) { 139 if (shellData == nullptr) {
140 shellData = new G4ShellData(); 140 shellData = new G4ShellData();
141 shellData->SetOccupancyData(); 141 shellData->SetOccupancyData();
142 G4String file = "/doppler/shell-doppler" 142 G4String file = "/doppler/shell-doppler";
143 shellData->LoadData(file); 143 shellData->LoadData(file);
144 } 144 }
145 if (profileData == nullptr) { 145 if (profileData == nullptr) {
146 profileData = new G4DopplerProfile(); 146 profileData = new G4DopplerProfile();
147 } 147 }
148 } 148 }
149 149
150 if (verboseLevel > 2) { 150 if (verboseLevel > 2) {
151 G4cout << "Loaded cross section files" << 151 G4cout << "Loaded cross section files" << G4endl;
152 } 152 }
153 153
154 if (verboseLevel > 1) { 154 if (verboseLevel > 1) {
155 G4cout << "G4LivermoreComptonModel is init 155 G4cout << "G4LivermoreComptonModel is initialized " << G4endl
156 << "Energy range: " << LowEnergyLim 156 << "Energy range: " << LowEnergyLimit() / eV << " eV - " << HighEnergyLimit() / GeV
157 << " GeV" << G4endl; 157 << " GeV" << G4endl;
158 } 158 }
159 // 159 //
160 if (isInitialised) { 160 if (isInitialised) {
161 return; 161 return;
162 } 162 }
163 163
164 fParticleChange = GetParticleChangeForGamma( 164 fParticleChange = GetParticleChangeForGamma();
165 fAtomDeexcitation = G4LossTableManager::Inst 165 fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
166 isInitialised = true; 166 isInitialised = true;
167 } 167 }
168 168
169 //....oooOO0OOooo........oooOO0OOooo........oo 169 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
170 170
171 void G4LivermoreComptonModel::InitialiseLocal( 171 void G4LivermoreComptonModel::InitialiseLocal(const G4ParticleDefinition*, G4VEmModel* masterModel)
172 { 172 {
173 SetElementSelectors(masterModel->GetElementS 173 SetElementSelectors(masterModel->GetElementSelectors());
174 } 174 }
175 175
176 //....oooOO0OOooo........oooOO0OOooo........oo 176 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
177 177
178 const G4String& G4LivermoreComptonModel::FindD 178 const G4String& G4LivermoreComptonModel::FindDirectoryPath()
179 { 179 {
180 // no check in this method - environment var 180 // no check in this method - environment variable is check by utility
181 if (gDataDirectory.empty()) { 181 if (gDataDirectory.empty()) {
182 auto param = G4EmParameters::Instance(); 182 auto param = G4EmParameters::Instance();
183 std::ostringstream ost; 183 std::ostringstream ost;
184 if (param->LivermoreDataDir() == "livermor 184 if (param->LivermoreDataDir() == "livermore") {
185 ost << param->GetDirLEDATA() << "/liverm 185 ost << param->GetDirLEDATA() << "/livermore/comp/";
186 } 186 }
187 else { 187 else {
188 ost << param->GetDirLEDATA() << "/epics2 188 ost << param->GetDirLEDATA() << "/epics2017/comp/";
189 } 189 }
190 gDataDirectory = ost.str(); 190 gDataDirectory = ost.str();
191 } 191 }
192 return gDataDirectory; 192 return gDataDirectory;
193 } 193 }
194 194
195 //....oooOO0OOooo........oooOO0OOooo........oo 195 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
196 196
197 void G4LivermoreComptonModel::ReadData(const G 197 void G4LivermoreComptonModel::ReadData(const G4int ZZ)
198 { 198 {
199 if (verboseLevel > 1) { 199 if (verboseLevel > 1) {
200 G4cout << "G4LivermoreComptonModel::ReadDa 200 G4cout << "G4LivermoreComptonModel::ReadData()" << G4endl;
201 } 201 }
202 const G4int Z = std::min(ZZ, maxZ); 202 const G4int Z = std::min(ZZ, maxZ);
203 203
204 if (data[Z] != nullptr) { 204 if (data[Z] != nullptr) {
205 return; 205 return;
206 } 206 }
207 207
208 data[Z] = new G4PhysicsFreeVector(); 208 data[Z] = new G4PhysicsFreeVector();
209 209
210 std::ostringstream ost; 210 std::ostringstream ost;
211 ost << FindDirectoryPath() << "ce-cs-" << Z 211 ost << FindDirectoryPath() << "ce-cs-" << Z << ".dat";
212 212
213 std::ifstream fin(ost.str().c_str()); 213 std::ifstream fin(ost.str().c_str());
214 214
215 if (!fin.is_open()) { 215 if (!fin.is_open()) {
216 G4ExceptionDescription ed; 216 G4ExceptionDescription ed;
217 ed << "G4LivermoreComptonModel data file < 217 ed << "G4LivermoreComptonModel data file <" << ost.str().c_str() << "> is not opened!"
218 << G4endl; 218 << G4endl;
219 G4Exception("G4LivermoreComptonModel::Read 219 G4Exception("G4LivermoreComptonModel::ReadData()", "em0003", FatalException, ed,
220 "G4LEDATA version should be G4 220 "G4LEDATA version should be G4EMLOW8.0 or later");
221 return; 221 return;
222 } 222 }
223 else { 223 else {
224 if (verboseLevel > 3) { 224 if (verboseLevel > 3) {
225 G4cout << "File " << ost.str() << " is o 225 G4cout << "File " << ost.str() << " is opened by G4LivermoreComptonModel" << G4endl;
226 } 226 }
227 data[Z]->Retrieve(fin, true); 227 data[Z]->Retrieve(fin, true);
228 data[Z]->ScaleVector(MeV, MeV * barn); 228 data[Z]->ScaleVector(MeV, MeV * barn);
229 } 229 }
230 fin.close(); 230 fin.close();
231 } 231 }
232 232
233 //....oooOO0OOooo........oooOO0OOooo........oo 233 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
234 234
235 G4double G4LivermoreComptonModel::ComputeCross 235 G4double G4LivermoreComptonModel::ComputeCrossSectionPerAtom(const G4ParticleDefinition*,
236 236 G4double GammaEnergy, G4double Z,
237 237 G4double, G4double, G4double)
238 { 238 {
239 if (verboseLevel > 3) { 239 if (verboseLevel > 3) {
240 G4cout << "G4LivermoreComptonModel::Comput 240 G4cout << "G4LivermoreComptonModel::ComputeCrossSectionPerAtom()" << G4endl;
241 } 241 }
242 G4double cs = 0.0; 242 G4double cs = 0.0;
243 243
244 if (GammaEnergy < LowEnergyLimit()) { 244 if (GammaEnergy < LowEnergyLimit()) {
245 return 0.0; 245 return 0.0;
246 } 246 }
247 247
248 G4int intZ = G4lrint(Z); 248 G4int intZ = G4lrint(Z);
249 if (intZ < 1 || intZ > maxZ) { 249 if (intZ < 1 || intZ > maxZ) {
250 return cs; 250 return cs;
251 } 251 }
252 252
253 G4PhysicsFreeVector* pv = data[intZ]; 253 G4PhysicsFreeVector* pv = data[intZ];
254 254
255 // if element was not initialised 255 // if element was not initialised
256 // do initialisation safely for MT mode 256 // do initialisation safely for MT mode
257 if (pv == nullptr) { 257 if (pv == nullptr) {
258 InitialiseForElement(nullptr, intZ); 258 InitialiseForElement(nullptr, intZ);
259 pv = data[intZ]; 259 pv = data[intZ];
260 if (pv == nullptr) { 260 if (pv == nullptr) {
261 return cs; 261 return cs;
262 } 262 }
263 } 263 }
264 264
265 auto n = G4int(pv->GetVectorLength() - 1); 265 auto n = G4int(pv->GetVectorLength() - 1);
266 G4double e1 = pv->Energy(0); 266 G4double e1 = pv->Energy(0);
267 G4double e2 = pv->Energy(n); 267 G4double e2 = pv->Energy(n);
268 268
269 if (GammaEnergy <= e1) { 269 if (GammaEnergy <= e1) {
270 cs = GammaEnergy / (e1 * e1) * pv->Value(e 270 cs = GammaEnergy / (e1 * e1) * pv->Value(e1);
271 } 271 }
272 else if (GammaEnergy <= e2) { 272 else if (GammaEnergy <= e2) {
273 cs = pv->Value(GammaEnergy) / GammaEnergy; 273 cs = pv->Value(GammaEnergy) / GammaEnergy;
274 } 274 }
275 else if (GammaEnergy > e2) { 275 else if (GammaEnergy > e2) {
276 cs = pv->Value(e2) / GammaEnergy; 276 cs = pv->Value(e2) / GammaEnergy;
277 } 277 }
278 278
279 return cs; 279 return cs;
280 } 280 }
281 281
282 //....oooOO0OOooo........oooOO0OOooo........oo 282 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
283 283
284 void G4LivermoreComptonModel::SampleSecondarie 284 void G4LivermoreComptonModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
285 285 const G4MaterialCutsCouple* couple,
286 286 const G4DynamicParticle* aDynamicGamma, G4double,
287 287 G4double)
288 { 288 {
289 // The scattered gamma energy is sampled acc 289 // The scattered gamma energy is sampled according to Klein - Nishina
290 // formula then accepted or rejected dependi 290 // formula then accepted or rejected depending on the Scattering Function
291 // multiplied by factor from Klein - Nishina 291 // multiplied by factor from Klein - Nishina formula.
292 // Expression of the angular distribution as 292 // Expression of the angular distribution as Klein Nishina
293 // angular and energy distribution and Scatt 293 // angular and energy distribution and Scattering fuctions is taken from
294 // D. E. Cullen "A simple model of photon tr 294 // D. E. Cullen "A simple model of photon transport" Nucl. Instr. Meth.
295 // Phys. Res. B 101 (1995). Method of sampli 295 // Phys. Res. B 101 (1995). Method of sampling with form factors is different
296 // data are interpolated while in the articl 296 // data are interpolated while in the article they are fitted.
297 // Reference to the article is from J. Stepa 297 // Reference to the article is from J. Stepanek New Photon, Positron
298 // and Electron Interaction Data for GEANT i 298 // and Electron Interaction Data for GEANT in Energy Range from 1 eV to 10
299 // TeV (draft). 299 // TeV (draft).
300 // The random number techniques of Butcher & 300 // The random number techniques of Butcher & Messel are used
301 // (Nucl Phys 20(1960),15). 301 // (Nucl Phys 20(1960),15).
302 302
303 G4double photonEnergy0 = aDynamicGamma->GetK 303 G4double photonEnergy0 = aDynamicGamma->GetKineticEnergy();
304 304
305 if (verboseLevel > 3) { 305 if (verboseLevel > 3) {
306 G4cout << "G4LivermoreComptonModel::Sample 306 G4cout << "G4LivermoreComptonModel::SampleSecondaries() E(MeV)= " << photonEnergy0 / MeV
307 << " in " << couple->GetMaterial()- 307 << " in " << couple->GetMaterial()->GetName() << G4endl;
308 } 308 }
309 309
310 // do nothing below the threshold 310 // do nothing below the threshold
311 // should never get here because the XS is z 311 // should never get here because the XS is zero below the limit
312 if (photonEnergy0 < LowEnergyLimit()) return 312 if (photonEnergy0 < LowEnergyLimit()) return;
313 313
314 G4double e0m = photonEnergy0 / electron_mass 314 G4double e0m = photonEnergy0 / electron_mass_c2;
315 G4ParticleMomentum photonDirection0 = aDynam 315 G4ParticleMomentum photonDirection0 = aDynamicGamma->GetMomentumDirection();
316 316
317 // Select randomly one element in the curren 317 // Select randomly one element in the current material
318 const G4ParticleDefinition* particle = aDyna 318 const G4ParticleDefinition* particle = aDynamicGamma->GetDefinition();
319 const G4Element* elm = SelectRandomAtom(coup 319 const G4Element* elm = SelectRandomAtom(couple, particle, photonEnergy0);
320 320
321 G4int Z = elm->GetZasInt(); 321 G4int Z = elm->GetZasInt();
322 322
323 G4double epsilon0Local = 1. / (1. + 2. * e0m 323 G4double epsilon0Local = 1. / (1. + 2. * e0m);
324 G4double epsilon0Sq = epsilon0Local * epsilo 324 G4double epsilon0Sq = epsilon0Local * epsilon0Local;
325 G4double alpha1 = -G4Log(epsilon0Local); 325 G4double alpha1 = -G4Log(epsilon0Local);
326 G4double alpha2 = 0.5 * (1. - epsilon0Sq); 326 G4double alpha2 = 0.5 * (1. - epsilon0Sq);
327 327
328 G4double wlPhoton = h_Planck * c_light / pho 328 G4double wlPhoton = h_Planck * c_light / photonEnergy0;
329 329
330 // Sample the energy of the scattered photon 330 // Sample the energy of the scattered photon
331 G4double epsilon; 331 G4double epsilon;
332 G4double epsilonSq; 332 G4double epsilonSq;
333 G4double oneCosT; 333 G4double oneCosT;
334 G4double sinT2; 334 G4double sinT2;
335 G4double gReject; 335 G4double gReject;
336 336
337 if (verboseLevel > 3) { 337 if (verboseLevel > 3) {
338 G4cout << "Started loop to sample gamma en 338 G4cout << "Started loop to sample gamma energy" << G4endl;
339 } 339 }
340 340
341 do { 341 do {
342 if (alpha1 / (alpha1 + alpha2) > G4Uniform 342 if (alpha1 / (alpha1 + alpha2) > G4UniformRand()) {
343 epsilon = G4Exp(-alpha1 * G4UniformRand( 343 epsilon = G4Exp(-alpha1 * G4UniformRand());
344 epsilonSq = epsilon * epsilon; 344 epsilonSq = epsilon * epsilon;
345 } 345 }
346 else { 346 else {
347 epsilonSq = epsilon0Sq + (1. - epsilon0S 347 epsilonSq = epsilon0Sq + (1. - epsilon0Sq) * G4UniformRand();
348 epsilon = std::sqrt(epsilonSq); 348 epsilon = std::sqrt(epsilonSq);
349 } 349 }
350 350
351 oneCosT = (1. - epsilon) / (epsilon * e0m) 351 oneCosT = (1. - epsilon) / (epsilon * e0m);
352 sinT2 = oneCosT * (2. - oneCosT); 352 sinT2 = oneCosT * (2. - oneCosT);
353 G4double x = std::sqrt(oneCosT / 2.) * cm 353 G4double x = std::sqrt(oneCosT / 2.) * cm / wlPhoton;
354 G4double scatteringFunction = ComputeScatt 354 G4double scatteringFunction = ComputeScatteringFunction(x, Z);
355 gReject = (1. - epsilon * sinT2 / (1. + ep 355 gReject = (1. - epsilon * sinT2 / (1. + epsilonSq)) * scatteringFunction;
356 356
357 } while (gReject < G4UniformRand() * Z); 357 } while (gReject < G4UniformRand() * Z);
358 358
359 G4double cosTheta = 1. - oneCosT; 359 G4double cosTheta = 1. - oneCosT;
360 G4double sinTheta = std::sqrt(sinT2); 360 G4double sinTheta = std::sqrt(sinT2);
361 G4double phi = twopi * G4UniformRand(); 361 G4double phi = twopi * G4UniformRand();
362 G4double dirx = sinTheta * std::cos(phi); 362 G4double dirx = sinTheta * std::cos(phi);
363 G4double diry = sinTheta * std::sin(phi); 363 G4double diry = sinTheta * std::sin(phi);
364 G4double dirz = cosTheta; 364 G4double dirz = cosTheta;
365 365
366 // Doppler broadening - Method based on: 366 // Doppler broadening - Method based on:
367 // Y. Namito, S. Ban and H. Hirayama, 367 // Y. Namito, S. Ban and H. Hirayama,
368 // "Implementation of the Doppler Broadening 368 // "Implementation of the Doppler Broadening of a Compton-Scattered Photon
369 // into the EGS4 Code", NIM A 349, pp. 489-4 369 // into the EGS4 Code", NIM A 349, pp. 489-494, 1994
370 370
371 // Maximum number of sampling iterations 371 // Maximum number of sampling iterations
372 static G4int maxDopplerIterations = 1000; 372 static G4int maxDopplerIterations = 1000;
373 G4double bindingE = 0.; 373 G4double bindingE = 0.;
374 G4double photonEoriginal = epsilon * photonE 374 G4double photonEoriginal = epsilon * photonEnergy0;
375 G4double photonE = -1.; 375 G4double photonE = -1.;
376 G4int iteration = 0; 376 G4int iteration = 0;
377 G4double eMax = photonEnergy0; 377 G4double eMax = photonEnergy0;
378 378
379 G4int shellIdx = 0; 379 G4int shellIdx = 0;
380 380
381 if (verboseLevel > 3) { 381 if (verboseLevel > 3) {
382 G4cout << "Started loop to sample broading 382 G4cout << "Started loop to sample broading" << G4endl;
383 } 383 }
384 384
385 do { 385 do {
386 ++iteration; 386 ++iteration;
387 // Select shell based on shell occupancy 387 // Select shell based on shell occupancy
388 shellIdx = shellData->SelectRandomShell(Z) 388 shellIdx = shellData->SelectRandomShell(Z);
389 bindingE = shellData->BindingEnergy(Z, she 389 bindingE = shellData->BindingEnergy(Z, shellIdx);
390 390
391 if (verboseLevel > 3) { 391 if (verboseLevel > 3) {
392 G4cout << "Shell ID= " << shellIdx << " 392 G4cout << "Shell ID= " << shellIdx << " Ebind(keV)= " << bindingE / keV << G4endl;
393 } 393 }
394 394
395 eMax = photonEnergy0 - bindingE; 395 eMax = photonEnergy0 - bindingE;
396 396
397 // Randomly sample bound electron momentum 397 // Randomly sample bound electron momentum
398 // (memento: the data set is in Atomic Uni 398 // (memento: the data set is in Atomic Units)
399 G4double pSample = profileData->RandomSele 399 G4double pSample = profileData->RandomSelectMomentum(Z, shellIdx);
400 if (verboseLevel > 3) { 400 if (verboseLevel > 3) {
401 G4cout << "pSample= " << pSample << G4en 401 G4cout << "pSample= " << pSample << G4endl;
402 } 402 }
403 // Rescale from atomic units 403 // Rescale from atomic units
404 G4double pDoppler = pSample * fine_structu 404 G4double pDoppler = pSample * fine_structure_const;
405 G4double pDoppler2 = pDoppler * pDoppler; 405 G4double pDoppler2 = pDoppler * pDoppler;
406 G4double var2 = 1. + oneCosT * e0m; 406 G4double var2 = 1. + oneCosT * e0m;
407 G4double var3 = var2 * var2 - pDoppler2; 407 G4double var3 = var2 * var2 - pDoppler2;
408 G4double var4 = var2 - pDoppler2 * cosThet 408 G4double var4 = var2 - pDoppler2 * cosTheta;
409 G4double var = var4 * var4 - var3 + pDoppl 409 G4double var = var4 * var4 - var3 + pDoppler2 * var3;
410 if (var > 0.) { 410 if (var > 0.) {
411 G4double varSqrt = std::sqrt(var); 411 G4double varSqrt = std::sqrt(var);
412 G4double scale = photonEnergy0 / var3; 412 G4double scale = photonEnergy0 / var3;
413 // Random select either root 413 // Random select either root
414 if (G4UniformRand() < 0.5) { 414 if (G4UniformRand() < 0.5) {
415 photonE = (var4 - varSqrt) * scale; 415 photonE = (var4 - varSqrt) * scale;
416 } 416 }
417 else { 417 else {
418 photonE = (var4 + varSqrt) * scale; 418 photonE = (var4 + varSqrt) * scale;
419 } 419 }
420 } 420 }
421 else { 421 else {
422 photonE = -1.; 422 photonE = -1.;
423 } 423 }
424 } while (iteration <= maxDopplerIterations & 424 } while (iteration <= maxDopplerIterations && photonE > eMax);
425 425
426 // End of recalculation of photon energy wit 426 // End of recalculation of photon energy with Doppler broadening
427 // Revert to original if maximum number of i 427 // Revert to original if maximum number of iterations threshold
428 // has been reached 428 // has been reached
429 if (iteration >= maxDopplerIterations) { 429 if (iteration >= maxDopplerIterations) {
430 photonE = photonEoriginal; 430 photonE = photonEoriginal;
431 bindingE = 0.; 431 bindingE = 0.;
432 } 432 }
433 433
434 // Update G4VParticleChange for the scattere 434 // Update G4VParticleChange for the scattered photon
435 G4ThreeVector photonDirection1(dirx, diry, d 435 G4ThreeVector photonDirection1(dirx, diry, dirz);
436 photonDirection1.rotateUz(photonDirection0); 436 photonDirection1.rotateUz(photonDirection0);
437 fParticleChange->ProposeMomentumDirection(ph 437 fParticleChange->ProposeMomentumDirection(photonDirection1);
438 438
439 G4double photonEnergy1 = photonE; 439 G4double photonEnergy1 = photonE;
440 440
441 if (photonEnergy1 > 0.) { 441 if (photonEnergy1 > 0.) {
442 fParticleChange->SetProposedKineticEnergy( 442 fParticleChange->SetProposedKineticEnergy(photonEnergy1);
443 } 443 }
444 else { 444 else {
445 // photon absorbed 445 // photon absorbed
446 photonEnergy1 = 0.; 446 photonEnergy1 = 0.;
447 fParticleChange->SetProposedKineticEnergy( 447 fParticleChange->SetProposedKineticEnergy(0.);
448 fParticleChange->ProposeTrackStatus(fStopA 448 fParticleChange->ProposeTrackStatus(fStopAndKill);
449 fParticleChange->ProposeLocalEnergyDeposit 449 fParticleChange->ProposeLocalEnergyDeposit(photonEnergy0);
450 return; 450 return;
451 } 451 }
452 452
453 // Kinematics of the scattered electron 453 // Kinematics of the scattered electron
454 G4double eKineticEnergy = photonEnergy0 - ph 454 G4double eKineticEnergy = photonEnergy0 - photonEnergy1 - bindingE;
455 455
456 // protection against negative final energy: 456 // protection against negative final energy: no e- is created
457 if (eKineticEnergy < 0.0) { 457 if (eKineticEnergy < 0.0) {
458 fParticleChange->ProposeLocalEnergyDeposit 458 fParticleChange->ProposeLocalEnergyDeposit(photonEnergy0 - photonEnergy1);
459 return; 459 return;
460 } 460 }
461 461
462 G4double eTotalEnergy = eKineticEnergy + ele 462 G4double eTotalEnergy = eKineticEnergy + electron_mass_c2;
463 463
464 G4double electronE = photonEnergy0 * (1. - e 464 G4double electronE = photonEnergy0 * (1. - epsilon) + electron_mass_c2;
465 G4double electronP2 = electronE * electronE 465 G4double electronP2 = electronE * electronE - electron_mass_c2 * electron_mass_c2;
466 G4double sinThetaE = -1.; 466 G4double sinThetaE = -1.;
467 G4double cosThetaE = 0.; 467 G4double cosThetaE = 0.;
468 if (electronP2 > 0.) { 468 if (electronP2 > 0.) {
469 cosThetaE = (eTotalEnergy + photonEnergy1) 469 cosThetaE = (eTotalEnergy + photonEnergy1) * (1. - epsilon) / std::sqrt(electronP2);
470 sinThetaE = -1. * sqrt(1. - cosThetaE * co 470 sinThetaE = -1. * sqrt(1. - cosThetaE * cosThetaE);
471 } 471 }
472 472
473 G4double eDirX = sinThetaE * std::cos(phi); 473 G4double eDirX = sinThetaE * std::cos(phi);
474 G4double eDirY = sinThetaE * std::sin(phi); 474 G4double eDirY = sinThetaE * std::sin(phi);
475 G4double eDirZ = cosThetaE; 475 G4double eDirZ = cosThetaE;
476 476
477 G4ThreeVector eDirection(eDirX, eDirY, eDirZ 477 G4ThreeVector eDirection(eDirX, eDirY, eDirZ);
478 eDirection.rotateUz(photonDirection0); 478 eDirection.rotateUz(photonDirection0);
479 auto dp = new G4DynamicParticle(G4Electron:: 479 auto dp = new G4DynamicParticle(G4Electron::Electron(), eDirection, eKineticEnergy);
480 fvect->push_back(dp); 480 fvect->push_back(dp);
481 481
482 // sample deexcitation 482 // sample deexcitation
483 if (verboseLevel > 3) { 483 if (verboseLevel > 3) {
484 G4cout << "Started atomic de-excitation " 484 G4cout << "Started atomic de-excitation " << fAtomDeexcitation << G4endl;
485 } 485 }
486 486
487 if (nullptr != fAtomDeexcitation && iteratio 487 if (nullptr != fAtomDeexcitation && iteration < maxDopplerIterations) {
488 G4int index = couple->GetIndex(); 488 G4int index = couple->GetIndex();
489 if (fAtomDeexcitation->CheckDeexcitationAc 489 if (fAtomDeexcitation->CheckDeexcitationActiveRegion(index)) {
490 size_t nbefore = fvect->size(); 490 size_t nbefore = fvect->size();
491 auto as = G4AtomicShellEnumerator(shellI 491 auto as = G4AtomicShellEnumerator(shellIdx);
492 const G4AtomicShell* shell = fAtomDeexci 492 const G4AtomicShell* shell = fAtomDeexcitation->GetAtomicShell(Z, as);
493 fAtomDeexcitation->GenerateParticles(fve 493 fAtomDeexcitation->GenerateParticles(fvect, shell, Z, index);
494 size_t nafter = fvect->size(); 494 size_t nafter = fvect->size();
495 if (nafter > nbefore) { 495 if (nafter > nbefore) {
496 for (size_t i = nbefore; i < nafter; + 496 for (size_t i = nbefore; i < nafter; ++i) {
497 // Check if there is enough residual 497 // Check if there is enough residual energy
498 if (bindingE >= ((*fvect)[i])->GetKi 498 if (bindingE >= ((*fvect)[i])->GetKineticEnergy()) {
499 // Ok, this is a valid secondary: 499 // Ok, this is a valid secondary: keep it
500 bindingE -= ((*fvect)[i])->GetKine 500 bindingE -= ((*fvect)[i])->GetKineticEnergy();
501 } 501 }
502 else { 502 else {
503 // Invalid secondary: not enough e 503 // Invalid secondary: not enough energy to create it!
504 // Keep its energy in the local de 504 // Keep its energy in the local deposit
505 delete (*fvect)[i]; 505 delete (*fvect)[i];
506 (*fvect)[i] = nullptr; 506 (*fvect)[i] = nullptr;
507 } 507 }
508 } 508 }
509 } 509 }
510 } 510 }
511 } 511 }
512 bindingE = std::max(bindingE, 0.0); 512 bindingE = std::max(bindingE, 0.0);
513 fParticleChange->ProposeLocalEnergyDeposit(b 513 fParticleChange->ProposeLocalEnergyDeposit(bindingE);
514 } 514 }
515 515
516 //....oooOO0OOooo........oooOO0OOooo........oo 516 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
517 517
518 G4double G4LivermoreComptonModel::ComputeScatt 518 G4double G4LivermoreComptonModel::ComputeScatteringFunction(G4double x, G4int Z)
519 { 519 {
520 G4double value = Z; 520 G4double value = Z;
521 if (x <= ScatFuncFitParam[Z][3]) { 521 if (x <= ScatFuncFitParam[Z][3]) {
522 G4double lgq = G4Log(x) / ln10; 522 G4double lgq = G4Log(x) / ln10;
523 523
524 if (lgq < ScatFuncFitParam[Z][1]) { 524 if (lgq < ScatFuncFitParam[Z][1]) {
525 value = ScatFuncFitParam[Z][4] + lgq * S 525 value = ScatFuncFitParam[Z][4] + lgq * ScatFuncFitParam[Z][5];
526 } 526 }
527 else if (lgq >= ScatFuncFitParam[Z][1] && 527 else if (lgq >= ScatFuncFitParam[Z][1] && lgq < ScatFuncFitParam[Z][2]) {
528 value = ScatFuncFitParam[Z][6] 528 value = ScatFuncFitParam[Z][6]
529 + lgq 529 + lgq
530 * (ScatFuncFitParam[Z][7] 530 * (ScatFuncFitParam[Z][7]
531 + lgq 531 + lgq
532 * (ScatFuncFitParam[Z 532 * (ScatFuncFitParam[Z][8]
533 + lgq * (ScatFuncF 533 + lgq * (ScatFuncFitParam[Z][9] + lgq * ScatFuncFitParam[Z][10])));
534 } 534 }
535 else { 535 else {
536 value = ScatFuncFitParam[Z][11] 536 value = ScatFuncFitParam[Z][11]
537 + lgq 537 + lgq
538 * (ScatFuncFitParam[Z][12] 538 * (ScatFuncFitParam[Z][12]
539 + lgq 539 + lgq
540 * (ScatFuncFitParam[Z 540 * (ScatFuncFitParam[Z][13]
541 + lgq * (ScatFuncF 541 + lgq * (ScatFuncFitParam[Z][14] + lgq * ScatFuncFitParam[Z][15])));
542 } 542 }
543 value = G4Exp(value * ln10); 543 value = G4Exp(value * ln10);
544 } 544 }
545 // G4cout << " value= " << value << G4end 545 // G4cout << " value= " << value << G4endl;
546 return value; 546 return value;
547 } 547 }
548 548
549 //....oooOO0OOooo........oooOO0OOooo........oo 549 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
550 550
551 void G4LivermoreComptonModel::InitialiseForEle 551 void G4LivermoreComptonModel::InitialiseForElement(const G4ParticleDefinition*, G4int Z)
552 { 552 {
553 G4AutoLock l(&LivermoreComptonModelMutex); 553 G4AutoLock l(&LivermoreComptonModelMutex);
554 if (data[Z] == nullptr) { 554 if (data[Z] == nullptr) {
555 ReadData(Z); 555 ReadData(Z);
556 } 556 }
557 l.unlock(); 557 l.unlock();
558 } 558 }
559 559
560 //....oooOO0OOooo........oooOO0OOooo........oo 560 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
561 561
562 // Fitting data to compute scattering function 562 // Fitting data to compute scattering function based on EPICS2017
563 const G4double G4LivermoreComptonModel::ScatFu 563 const G4double G4LivermoreComptonModel::ScatFuncFitParam[101][16] = {
564 {0, 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 564 {0, 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.},
565 {1, 6.000000000e+00, 7.087999300e+00, 1.4996 565 {1, 6.000000000e+00, 7.087999300e+00, 1.499680000e+08, -1.435559123e+01, 2.000000043e+00,
566 -3.925518125e+02, 2.434944521e+02, -5.78439 566 -3.925518125e+02, 2.434944521e+02, -5.784393623e+01, 6.160181204e+00, -2.461326602e-01,
567 -1.649463594e+03, 8.121933215e+02, -1.49831 567 -1.649463594e+03, 8.121933215e+02, -1.498313316e+02, 1.227279742e+01, -3.765996345e-01},
568 {2, 6.000000000e+00, 7.199000403e+00, 2.5003 568 {2, 6.000000000e+00, 7.199000403e+00, 2.500350000e+08, -1.430103027e+01, 2.000000041e+00,
569 3.574019365e+02, -1.978574937e+02, 3.971327 569 3.574019365e+02, -1.978574937e+02, 3.971327838e+01, -3.443224867e+00, 1.091825227e-01,
570 -4.009960832e+02, 1.575831469e+02, -2.17476 570 -4.009960832e+02, 1.575831469e+02, -2.174763446e+01, 1.185163045e+00, -1.814503741e-02},
571 {3, 6.000000000e+00, 7.301000136e+00, 3.9994 571 {3, 6.000000000e+00, 7.301000136e+00, 3.999450000e+08, -1.357675458e+01, 2.000000074e+00,
572 7.051635443e+02, -4.223841786e+02, 9.318729 572 7.051635443e+02, -4.223841786e+02, 9.318729225e+01, -9.002642767e+00, 3.220625771e-01,
573 1.524679907e+03, -7.851479582e+02, 1.509941 573 1.524679907e+03, -7.851479582e+02, 1.509941052e+02, -1.285477984e+01, 4.089348830e-01},
574 {4, 6.000000000e+00, 7.349500202e+00, 5.0003 574 {4, 6.000000000e+00, 7.349500202e+00, 5.000350000e+08, -1.375202671e+01, 1.999999994e+00,
575 -1.832909604e+02, 1.193997722e+02, -3.03432 575 -1.832909604e+02, 1.193997722e+02, -3.034328318e+01, 3.471545044e+00, -1.484222463e-01,
576 1.397476657e+03, -7.026416933e+02, 1.320720 576 1.397476657e+03, -7.026416933e+02, 1.320720559e+02, -1.099824430e+01, 3.424610532e-01},
577 {5, 6.000000000e+00, 7.388999972e+00, 5.9979 577 {5, 6.000000000e+00, 7.388999972e+00, 5.997910000e+08, -1.380548571e+01, 2.000000004e+00,
578 -2.334197545e+02, 1.467013466e+02, -3.57485 578 -2.334197545e+02, 1.467013466e+02, -3.574851109e+01, 3.925047955e+00, -1.616186492e-01,
579 6.784713308e+02, -3.419562074e+02, 6.433945 579 6.784713308e+02, -3.419562074e+02, 6.433945831e+01, -5.354244209e+00, 1.663784966e-01},
580 {6, 6.000000000e+00, 7.422500001e+00, 6.9984 580 {6, 6.000000000e+00, 7.422500001e+00, 6.998420000e+08, -1.388639003e+01, 1.999999863e+00,
581 -2.460254935e+02, 1.516613633e+02, -3.62202 581 -2.460254935e+02, 1.516613633e+02, -3.622024219e+01, 3.900099543e+00, -1.576557530e-01,
582 -1.610185428e+02, 7.010907070e+01, -1.14237 582 -1.610185428e+02, 7.010907070e+01, -1.142375397e+01, 8.303365180e-01, -2.273786010e-02},
583 {7, 6.000000000e+00, 7.451499931e+00, 7.9983 583 {7, 6.000000000e+00, 7.451499931e+00, 7.998340000e+08, -1.388605429e+01, 1.999999612e+00,
584 -3.054540719e+02, 1.877740247e+02, -4.44027 584 -3.054540719e+02, 1.877740247e+02, -4.440273010e+01, 4.718886370e+00, -1.881615004e-01,
585 -2.263864349e+02, 1.017885461e+02, -1.71698 585 -2.263864349e+02, 1.017885461e+02, -1.716982752e+01, 1.292954622e+00, -3.668301946e-02},
586 {8, 6.000000000e+00, 7.451499931e+00, 7.9983 586 {8, 6.000000000e+00, 7.451499931e+00, 7.998340000e+08, -1.395860675e+01, 1.999999906e+00,
587 -3.877174895e+02, 2.345831969e+02, -5.43182 587 -3.877174895e+02, 2.345831969e+02, -5.431822300e+01, 5.643262324e+00, -2.200840540e-01,
588 -7.949384302e+02, 3.757293602e+02, -6.66174 588 -7.949384302e+02, 3.757293602e+02, -6.661741851e+01, 5.256265086e+00, -1.556986777e-01},
589 {9, 6.000000000e+00, 7.451499931e+00, 7.9983 589 {9, 6.000000000e+00, 7.451499931e+00, 7.998340000e+08, -1.400000063e+01, 2.000000106e+00,
590 -2.939854827e+02, 1.784214589e+02, -4.16847 590 -2.939854827e+02, 1.784214589e+02, -4.168473845e+01, 4.377669850e+00, -1.724300716e-01,
591 -1.169326170e+03, 5.545642014e+02, -9.86302 591 -1.169326170e+03, 5.545642014e+02, -9.863024948e+01, 7.801721240e+00, -2.315522357e-01},
592 {10, 6.000000000e+00, 7.451499931e+00, 7.998 592 {10, 6.000000000e+00, 7.451499931e+00, 7.998340000e+08, -1.404575854e+01, 2.000000178e+00,
593 -2.615701853e+02, 1.582596311e+02, -3.69811 593 -2.615701853e+02, 1.582596311e+02, -3.698114811e+01, 3.889093901e+00, -1.533613504e-01,
594 -1.275287356e+03, 6.022076554e+02, -1.06641 594 -1.275287356e+03, 6.022076554e+02, -1.066410301e+02, 8.398773148e+00, -2.481899800e-01},
595 {11, 6.000000000e+00, 7.500000000e+00, 1.000 595 {11, 6.000000000e+00, 7.500000000e+00, 1.000000000e+09, -1.344369665e+01, 1.999999860e+00,
596 1.112662501e+03, -6.807056448e+02, 1.545837 596 1.112662501e+03, -6.807056448e+02, 1.545837472e+02, -1.548462180e+01, 5.785425068e-01,
597 -1.007702307e+03, 4.699937040e+02, -8.22035 597 -1.007702307e+03, 4.699937040e+02, -8.220352105e+01, 6.396099420e+00, -1.867816054e-01},
598 {12, 6.000000000e+00, 7.500000000e+00, 1.000 598 {12, 6.000000000e+00, 7.500000000e+00, 1.000000000e+09, -1.339794047e+01, 2.000000080e+00,
599 9.895649717e+02, -5.983228286e+02, 1.340681 599 9.895649717e+02, -5.983228286e+02, 1.340681576e+02, -1.323046651e+01, 4.863434994e-01,
600 -5.790532602e+02, 2.626052403e+02, -4.46354 600 -5.790532602e+02, 2.626052403e+02, -4.463548055e+01, 3.376239891e+00, -9.588786915e-02},
601 {13, 6.000000000e+00, 7.587999300e+00, 1.499 601 {13, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.340893585e+01, 2.000000078e+00,
602 7.335256091e+02, -4.405291562e+02, 9.770954 602 7.335256091e+02, -4.405291562e+02, 9.770954287e+01, -9.519317788e+00, 3.448067237e-01,
603 -5.328832253e+02, 2.398514938e+02, -4.04455 603 -5.328832253e+02, 2.398514938e+02, -4.044557740e+01, 3.034597500e+00, -8.547410419e-02},
604 {14, 6.000000000e+00, 7.587999300e+00, 1.499 604 {14, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.345593195e+01, 2.000000000e+00,
605 3.978691889e+02, -2.370975001e+02, 5.158692 605 3.978691889e+02, -2.370975001e+02, 5.158692183e+01, -4.884868277e+00, 1.707270518e-01,
606 -2.340256277e+02, 9.813362251e+01, -1.52789 606 -2.340256277e+02, 9.813362251e+01, -1.527892110e+01, 1.051070768e+00, -2.692716945e-02},
607 {15, 6.000000000e+00, 7.587999300e+00, 1.499 607 {15, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.349485049e+01, 2.000000083e+00,
608 2.569833671e+02, -1.513623448e+02, 3.210087 608 2.569833671e+02, -1.513623448e+02, 3.210087153e+01, -2.925756803e+00, 9.724379436e-02,
609 -1.345727293e+01, -6.291081167e+00, 3.23596 609 -1.345727293e+01, -6.291081167e+00, 3.235960888e+00, -4.059236666e-01, 1.601245178e-02},
610 {16, 6.000000000e+00, 7.587999300e+00, 1.499 610 {16, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.353760159e+01, 1.999999937e+00,
611 1.015293074e+02, -5.721639224e+01, 1.078607 611 1.015293074e+02, -5.721639224e+01, 1.078607152e+01, -7.890593144e-01, 1.726056327e-02,
612 1.854818165e+02, -1.000803879e+02, 1.979815 612 1.854818165e+02, -1.000803879e+02, 1.979815884e+01, -1.704221744e+00, 5.413372375e-02},
613 {17, 6.000000000e+00, 7.587999300e+00, 1.499 613 {17, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.358502705e+01, 2.000000066e+00,
614 -4.294163461e+01, 2.862162412e+01, -8.28597 614 -4.294163461e+01, 2.862162412e+01, -8.285972104e+00, 1.087745268e+00, -5.172153610e-02,
615 1.676674074e+02, -8.976414784e+01, 1.763329 615 1.676674074e+02, -8.976414784e+01, 1.763329621e+01, -1.507161653e+00, 4.753277254e-02},
616 {18, 6.000000000e+00, 7.587999300e+00, 1.499 616 {18, 6.000000000e+00, 7.587999300e+00, 1.499680000e+09, -1.361978902e+01, 2.000000042e+00,
617 -3.573422746e+01, 2.403066369e+01, -7.17361 617 -3.573422746e+01, 2.403066369e+01, -7.173617800e+00, 9.657608431e-01, -4.662317662e-02,
618 1.811925229e+02, -9.574636323e+01, 1.861940 618 1.811925229e+02, -9.574636323e+01, 1.861940167e+01, -1.578810247e+00, 4.946799877e-02},
619 {19, 6.000000000e+00, 7.650499797e+00, 1.999 619 {19, 6.000000000e+00, 7.650499797e+00, 1.999860000e+09, -1.320760816e+01, 1.999999979e+00,
620 1.263152069e+02, -8.738932892e+01, 2.109042 620 1.263152069e+02, -8.738932892e+01, 2.109042182e+01, -2.166733566e+00, 8.146018979e-02,
621 9.183312428e+01, -5.232836676e+01, 1.072450 621 9.183312428e+01, -5.232836676e+01, 1.072450810e+01, -9.419512971e-01, 3.023884410e-02},
622 {20, 6.000000000e+00, 7.650499797e+00, 1.999 622 {20, 6.000000000e+00, 7.650499797e+00, 1.999860000e+09, -1.314266674e+01, 1.999999876e+00,
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808 {82, 6.000000000e+00, 7.951499931e+00, 7.998 808 {82, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.314266674e+01, 1.999999876e+00,
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811 {83, 6.000000000e+00, 7.951499931e+00, 7.998 811 {83, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.315490164e+01, 1.999999944e+00,
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817 {85, 6.000000000e+00, 7.951499931e+00, 7.998 817 {85, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.318045630e+01, 2.000000044e+00,
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826 {88, 6.000000000e+00, 7.951499931e+00, 7.998 826 {88, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.284163724e+01, 1.999999954e+00,
827 6.125934670e+01, -4.855548659e+01, 1.248551 827 6.125934670e+01, -4.855548659e+01, 1.248551381e+01, -1.323304763e+00, 5.060744172e-02,
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830 1.350863292e+02, -9.126618691e+01, 2.169932 830 1.350863292e+02, -9.126618691e+01, 2.169932948e+01, -2.201947573e+00, 8.186860720e-02,
831 1.937135880e+01, -1.787129621e+01, 4.485878 831 1.937135880e+01, -1.787129621e+01, 4.485878662e+00, -4.315325969e-01, 1.442445798e-02},
832 {90, 6.000000000e+00, 7.951499931e+00, 7.998 832 {90, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.286966604e+01, 1.999999970e+00,
833 1.784388998e+02, -1.161623817e+02, 2.702376 833 1.784388998e+02, -1.161623817e+02, 2.702376618e+01, -2.704797298e+00, 9.957279361e-02,
834 2.216057166e+01, -1.904990091e+01, 4.671627 834 2.216057166e+01, -1.904990091e+01, 4.671627339e+00, -4.444534802e-01, 1.475921763e-02},
835 {91, 6.000000000e+00, 7.951499931e+00, 7.998 835 {91, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.287289489e+01, 1.999999951e+00,
836 1.368355213e+02, -9.179790820e+01, 2.169910 836 1.368355213e+02, -9.179790820e+01, 2.169910915e+01, -2.190249857e+00, 8.102241740e-02,
837 4.516580666e+00, -1.118102949e+01, 3.357662 837 4.516580666e+00, -1.118102949e+01, 3.357662550e+00, -3.470694353e-01, 1.205639951e-02},
838 {92, 6.000000000e+00, 7.951499931e+00, 7.998 838 {92, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.287942629e+01, 2.000000032e+00,
839 1.427130850e+02, -9.499714618e+01, 2.234475 839 1.427130850e+02, -9.499714618e+01, 2.234475916e+01, -2.247599931e+00, 8.291713193e-02,
840 1.341991149e+01, -1.518503354e+01, 4.030838 840 1.341991149e+01, -1.518503354e+01, 4.030838171e+00, -3.972060658e-01, 1.345248084e-02},
841 {93, 6.000000000e+00, 8.000000000e+00, 1.000 841 {93, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.288605524e+01, 1.999999761e+00,
842 2.341801100e+01, -2.506119713e+01, 7.023029 842 2.341801100e+01, -2.506119713e+01, 7.023029272e+00, -7.610742531e-01, 2.903245750e-02,
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844 {94, 6.000000000e+00, 7.951499931e+00, 7.998 844 {94, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.288272835e+01, 1.999999941e+00,
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847 {95, 6.000000000e+00, 7.951499931e+00, 7.998 847 {95, 6.000000000e+00, 7.951499931e+00, 7.998340000e+09, -1.288940956e+01, 1.999999880e+00,
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850 {96, 6.000000000e+00, 8.000000000e+00, 1.000 850 {96, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.290553004e+01, 2.000000198e+00,
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853 {97, 6.000000000e+00, 8.000000000e+00, 1.000 853 {97, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.291150963e+01, 2.000000019e+00,
854 4.689042092e+01, -3.843347264e+01, 9.859294 854 4.689042092e+01, -3.843347264e+01, 9.859294531e+00, -1.027014690e+00, 3.834833665e-02,
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856 {98, 6.000000000e+00, 8.000000000e+00, 1.000 856 {98, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.290833198e+01, 1.999999824e+00,
857 1.337584189e+01, -1.907284620e+01, 5.691614 857 1.337584189e+01, -1.907284620e+01, 5.691614909e+00, -6.307838734e-01, 2.430868142e-02,
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859 {99, 6.000000000e+00, 8.000000000e+00, 1.000 859 {99, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.291435263e+01, 1.999999988e+00,
860 1.376201293e+01, -1.919251815e+01, 5.693799 860 1.376201293e+01, -1.919251815e+01, 5.693799461e+00, -6.287500644e-01, 2.416045199e-02,
861 -4.914211254e+01, 1.314247998e+01, -7.73933 861 -4.914211254e+01, 1.314247998e+01, -7.739336035e-01, -3.530513333e-02, 3.241293077e-03},
862 {100, 6.000000000e+00, 8.000000000e+00, 1.00 862 {100, 6.000000000e+00, 8.000000000e+00, 1.000000000e+10, -1.292045700e+01, 2.000000004e+00,
863 1.277081775e+01, -1.854047224e+01, 5.534680 863 1.277081775e+01, -1.854047224e+01, 5.534680382e+00, -6.118054153e-01, 2.349768815e-02,
864 -5.074293980e+01, 1.383260974e+01, -8.85890 864 -5.074293980e+01, 1.383260974e+01, -8.858904786e-01, -2.718885953e-02, 3.019620454e-03}};
865 //....oooOO0OOooo........oooOO0OOooo........oo 865 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
866 866