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Geant4/processes/hadronic/models/particle_hp/src/G4ParticleHPThermalScattering.cc

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Differences between /processes/hadronic/models/particle_hp/src/G4ParticleHPThermalScattering.cc (Version 11.3.0) and /processes/hadronic/models/particle_hp/src/G4ParticleHPThermalScattering.cc (Version 10.0.p2)


  1 //                                                  1 
  2 // *******************************************    
  3 // * License and Disclaimer                       
  4 // *                                              
  5 // * The  Geant4 software  is  copyright of th    
  6 // * the Geant4 Collaboration.  It is provided    
  7 // * conditions of the Geant4 Software License    
  8 // * LICENSE and available at  http://cern.ch/    
  9 // * include a list of copyright holders.         
 10 // *                                              
 11 // * Neither the authors of this software syst    
 12 // * institutes,nor the agencies providing fin    
 13 // * work  make  any representation or  warran    
 14 // * regarding  this  software system or assum    
 15 // * use.  Please see the license in the file     
 16 // * for the full disclaimer and the limitatio    
 17 // *                                              
 18 // * This  code  implementation is the result     
 19 // * technical work of the GEANT4 collaboratio    
 20 // * By using,  copying,  modifying or  distri    
 21 // * any work based  on the software)  you  ag    
 22 // * use  in  resulting  scientific  publicati    
 23 // * acceptance of all terms of the Geant4 Sof    
 24 // *******************************************    
 25 //                                                
 26 // Thermal Neutron Scattering                     
 27 // Koi, Tatsumi (SLAC/SCCS)                       
 28 //                                                
 29 // Class Description:                             
 30 //                                                
 31 // Final State Generators for a high precision    
 32 // libraries) description of themal neutron sc    
 33 // Based on Thermal neutron scattering files      
 34 // from the evaluated nuclear data files ENDF/    
 35 // To be used in your physics list in case you    
 36 // In this case you want to register an object    
 37 // the corresponding process.                     
 38                                                   
 39 // 070625 Fix memory leaking at destructor by     
 40 // 081201 Fix memory leaking at destructor by     
 41 // 100729 Add model name in constructor Proble    
 42 // P. Arce, June-2014 Conversion neutron_hp to    
 43 //                                                
 44 #include "G4ParticleHPThermalScattering.hh"       
 45                                                   
 46 #include "G4ElementTable.hh"                      
 47 #include "G4MaterialTable.hh"                     
 48 #include "G4Neutron.hh"                           
 49 #include "G4ParticleHPElastic.hh"                 
 50 #include "G4ParticleHPManager.hh"                 
 51 #include "G4ParticleHPThermalScatteringData.hh    
 52 #include "G4ParticleHPThermalScatteringNames.h    
 53 #include "G4SystemOfUnits.hh"                     
 54 #include "G4Threading.hh"                         
 55                                                   
 56 G4ParticleHPThermalScattering::G4ParticleHPThe    
 57   : G4HadronicInteraction("NeutronHPThermalSca    
 58 {                                                 
 59   theHPElastic = new G4ParticleHPElastic();       
 60                                                   
 61   SetMinEnergy(0. * eV);                          
 62   SetMaxEnergy(4 * eV);                           
 63   theXSection = new G4ParticleHPThermalScatter    
 64                                                   
 65   nMaterial = 0;                                  
 66   nElement = 0;                                   
 67 }                                                 
 68                                                   
 69 G4ParticleHPThermalScattering::~G4ParticleHPTh    
 70 {                                                 
 71   delete theHPElastic;                            
 72 }                                                 
 73                                                   
 74 void G4ParticleHPThermalScattering::clearCurre    
 75 {                                                 
 76   if (incoherentFSs != nullptr) {                 
 77     for (auto it = incoherentFSs->cbegin(); it    
 78       for (auto itt = it->second->cbegin(); it    
 79         for (auto ittt = itt->second->cbegin()    
 80           delete *ittt;                           
 81         }                                         
 82         delete itt->second;                       
 83       }                                           
 84       delete it->second;                          
 85     }                                             
 86   }                                               
 87                                                   
 88   if (coherentFSs != nullptr) {                   
 89     for (auto it = coherentFSs->cbegin(); it !    
 90       for (auto itt = it->second->cbegin(); it    
 91         for (auto ittt = itt->second->cbegin()    
 92           delete *ittt;                           
 93         }                                         
 94         delete itt->second;                       
 95       }                                           
 96       delete it->second;                          
 97     }                                             
 98   }                                               
 99                                                   
100   if (inelasticFSs != nullptr) {                  
101     for (auto it = inelasticFSs->cbegin(); it     
102       for (auto itt = it->second->cbegin(); it    
103         for (auto ittt = itt->second->cbegin()    
104           for (auto it4 = (*ittt)->vE_isoAngle    
105           {                                       
106             delete *it4;                          
107           }                                       
108           delete *ittt;                           
109         }                                         
110         delete itt->second;                       
111       }                                           
112       delete it->second;                          
113     }                                             
114   }                                               
115                                                   
116   incoherentFSs = nullptr;                        
117   coherentFSs = nullptr;                          
118   inelasticFSs = nullptr;                         
119 }                                                 
120                                                   
121 void G4ParticleHPThermalScattering::BuildPhysi    
122 {                                                 
123   buildPhysicsTable();                            
124   theHPElastic->BuildPhysicsTable(particle);      
125 }                                                 
126                                                   
127 std::map<G4double, std::vector<std::pair<G4dou    
128 G4ParticleHPThermalScattering::readACoherentFS    
129 {                                                 
130   auto aCoherentFSDATA = new std::map<G4double    
131                                                   
132   std::istringstream theChannel(std::ios::in);    
133   G4ParticleHPManager::GetInstance()->GetDataS    
134                                                   
135   std::vector<G4double> vBraggE;                  
136                                                   
137   G4int dummy;                                    
138   while (theChannel >> dummy)  // MF // Loop c    
139   {                                               
140     theChannel >> dummy;  // MT                   
141     G4double temp;                                
142     theChannel >> temp;                           
143     auto anBragE_P = new std::vector<std::pair    
144                                                   
145     G4int n;                                      
146     theChannel >> n;                              
147     for (G4int i = 0; i < n; ++i) {               
148       G4double Ei;                                
149       G4double Pi;                                
150       if (aCoherentFSDATA->empty()) {             
151         theChannel >> Ei;                         
152         vBraggE.push_back(Ei);                    
153       }                                           
154       else {                                      
155         Ei = vBraggE[i];                          
156       }                                           
157       theChannel >> Pi;                           
158       anBragE_P->push_back(new std::pair<G4dou    
159     }                                             
160     aCoherentFSDATA->insert(                      
161       std::pair<G4double, std::vector<std::pai    
162   }                                               
163   return aCoherentFSDATA;                         
164 }                                                 
165                                                   
166 std::map<G4double, std::vector<E_P_E_isoAng*>*    
167 G4ParticleHPThermalScattering::readAnInelastic    
168 {                                                 
169   auto anT_E_P_E_isoAng = new std::map<G4doubl    
170                                                   
171   std::istringstream theChannel(std::ios::in);    
172   G4ParticleHPManager::GetInstance()->GetDataS    
173                                                   
174   G4int dummy;                                    
175   while (theChannel >> dummy)  // MF // Loop c    
176   {                                               
177     theChannel >> dummy;  // MT                   
178     G4double temp;                                
179     theChannel >> temp;                           
180     auto vE_P_E_isoAng = new std::vector<E_P_E    
181     G4int n;                                      
182     theChannel >> n;                              
183     for (G4int i = 0; i < n; ++i) {               
184       vE_P_E_isoAng->push_back(readAnE_P_E_iso    
185     }                                             
186     anT_E_P_E_isoAng->insert(std::pair<G4doubl    
187   }                                               
188                                                   
189   return anT_E_P_E_isoAng;                        
190 }                                                 
191                                                   
192 E_P_E_isoAng*                                     
193 G4ParticleHPThermalScattering::readAnE_P_E_iso    
194 {                                                 
195   auto aData = new E_P_E_isoAng;                  
196                                                   
197   G4double dummy;                                 
198   G4double energy;                                
199   G4int nep, nl;                                  
200   *file >> dummy;                                 
201   *file >> energy;                                
202   aData->energy = energy * eV;                    
203   *file >> dummy;                                 
204   *file >> dummy;                                 
205   *file >> nep;                                   
206   *file >> nl;                                    
207   aData->n = nep / nl;                            
208   for (G4int i = 0; i < aData->n; ++i) {          
209     G4double prob;                                
210     auto anE_isoAng = new E_isoAng;               
211     aData->vE_isoAngle.push_back(anE_isoAng);     
212     *file >> energy;                              
213     anE_isoAng->energy = energy * eV;             
214     anE_isoAng->n = nl - 2;                       
215     anE_isoAng->isoAngle.resize(anE_isoAng->n)    
216     *file >> prob;                                
217     aData->prob.push_back(prob);                  
218     // G4cout << "G4ParticleHPThermalScatterin    
219     // << " " << aData->prob[ i ] << G4endl;      
220     for (G4int j = 0; j < anE_isoAng->n; ++j)     
221       G4double x;                                 
222       *file >> x;                                 
223       anE_isoAng->isoAngle[j] = x;                
224     }                                             
225   }                                               
226                                                   
227   // Calcuate sum_of_provXdEs                     
228   G4double total = 0;                             
229   aData->secondary_energy_cdf.push_back(0.);      
230   for (G4int i = 0; i < aData->n - 1; ++i) {      
231     G4double E_L = aData->vE_isoAngle[i]->ener    
232     G4double E_H = aData->vE_isoAngle[i + 1]->    
233     G4double dE = E_H - E_L;                      
234     G4double pdf = (aData->prob[i] + aData->pr    
235     total += (pdf);                               
236     aData->secondary_energy_cdf.push_back(tota    
237     aData->secondary_energy_pdf.push_back(pdf)    
238     aData->secondary_energy_value.push_back(E_    
239   }                                               
240                                                   
241   aData->sum_of_probXdEs = total;                 
242                                                   
243   // Normalize CDF                                
244   aData->secondary_energy_cdf_size = (G4int)aD    
245   for (G4int i = 0; i < aData->secondary_energ    
246     aData->secondary_energy_cdf[i] /= total;      
247   }                                               
248                                                   
249   return aData;                                   
250 }                                                 
251                                                   
252 std::map<G4double, std::vector<E_isoAng*>*>*      
253 G4ParticleHPThermalScattering::readAnIncoheren    
254 {                                                 
255   auto T_E = new std::map<G4double, std::vecto    
256                                                   
257   // std::ifstream theChannel( name.c_str() );    
258   std::istringstream theChannel(std::ios::in);    
259   G4ParticleHPManager::GetInstance()->GetDataS    
260                                                   
261   G4int dummy;                                    
262   while (theChannel >> dummy)  // MF // Loop c    
263   {                                               
264     theChannel >> dummy;  // MT                   
265     G4double temp;                                
266     theChannel >> temp;                           
267     auto vE_isoAng = new std::vector<E_isoAng*    
268     G4int n;                                      
269     theChannel >> n;                              
270     for (G4int i = 0; i < n; i++)                 
271       vE_isoAng->push_back(readAnE_isoAng(&the    
272     T_E->insert(std::pair<G4double, std::vecto    
273   }                                               
274   // theChannel.close();                          
275                                                   
276   return T_E;                                     
277 }                                                 
278                                                   
279 E_isoAng* G4ParticleHPThermalScattering::readA    
280 {                                                 
281   auto aData = new E_isoAng;                      
282                                                   
283   G4double dummy;                                 
284   G4double energy;                                
285   G4int n;                                        
286   *file >> dummy;                                 
287   *file >> energy;                                
288   *file >> dummy;                                 
289   *file >> dummy;                                 
290   *file >> n;                                     
291   *file >> dummy;                                 
292   aData->energy = energy * eV;                    
293   aData->n = n - 2;                               
294   aData->isoAngle.resize(n);                      
295                                                   
296   *file >> dummy;                                 
297   *file >> dummy;                                 
298   for (G4int i = 0; i < aData->n; i++)            
299     *file >> aData->isoAngle[i];                  
300                                                   
301   return aData;                                   
302 }                                                 
303                                                   
304 G4HadFinalState* G4ParticleHPThermalScattering    
305                                                   
306 {                                                 
307   // Select Element > Reaction >                  
308                                                   
309   const G4Material* theMaterial = aTrack.GetMa    
310   G4double aTemp = theMaterial->GetTemperature    
311   auto n = (G4int)theMaterial->GetNumberOfElem    
312                                                   
313   G4bool findThermalElement = false;              
314   G4int ielement;                                 
315   const G4Element* theElement = nullptr;          
316   for (G4int i = 0; i < n; ++i) {                 
317     theElement = theMaterial->GetElement(i);      
318     // Select target element                      
319     if (aNucleus.GetZ_asInt() == (G4int)(theEl    
320       // Check Applicability of Thermal Scatte    
321       if (getTS_ID(nullptr, theElement) != -1)    
322         ielement = getTS_ID(nullptr, theElemen    
323         findThermalElement = true;                
324         break;                                    
325       }                                           
326       if (getTS_ID(theMaterial, theElement) !=    
327         ielement = getTS_ID(theMaterial, theEl    
328         findThermalElement = true;                
329         break;                                    
330       }                                           
331     }                                             
332   }                                               
333                                                   
334   if (findThermalElement) {                       
335     // Select Reaction  (Inelastic, coherent,     
336     const G4ParticleDefinition* pd = aTrack.Ge    
337     auto dp = new G4DynamicParticle(pd, aTrack    
338     G4double total = theXSection->GetCrossSect    
339     G4double inelastic = theXSection->GetInela    
340                                                   
341     G4double random = G4UniformRand();            
342     if (random <= inelastic / total) {            
343       // Inelastic                                
344                                                   
345       std::vector<G4double> v_temp;               
346       v_temp.clear();                             
347       for (auto it = inelasticFSs->find(ieleme    
348            it != inelasticFSs->find(ielement)-    
349       {                                           
350         v_temp.push_back(it->first);              
351       }                                           
352                                                   
353       std::pair<G4double, G4double> tempLH = f    
354       //                                          
355       // For T_L aNEP_EPM_TL  and T_H aNEP_EPM    
356       //                                          
357       std::vector<E_P_E_isoAng*>* vNEP_EPM_TL     
358       std::vector<E_P_E_isoAng*>* vNEP_EPM_TH     
359                                                   
360       if (tempLH.first != 0.0 && tempLH.second    
361         vNEP_EPM_TL = inelasticFSs->find(ielem    
362         vNEP_EPM_TH = inelasticFSs->find(ielem    
363       }                                           
364       else if (tempLH.first == 0.0) {             
365         auto itm = inelasticFSs->find(ielement    
366         vNEP_EPM_TL = itm->second;                
367         ++itm;                                    
368         vNEP_EPM_TH = itm->second;                
369         tempLH.first = tempLH.second;             
370         tempLH.second = itm->first;               
371       }                                           
372       else if (tempLH.second == 0.0) {            
373         auto itm = inelasticFSs->find(ielement    
374         --itm;                                    
375         vNEP_EPM_TH = itm->second;                
376         --itm;                                    
377         vNEP_EPM_TL = itm->second;                
378         tempLH.second = tempLH.first;             
379         tempLH.first = itm->first;                
380       }                                           
381                                                   
382       G4double sE = 0., mu = 1.0;                 
383                                                   
384       // New Geant4 method - Stochastic temper    
385       // (continuous temperature interpolation    
386       std::pair<G4double, G4double> secondaryP    
387       G4double rand_temp = G4UniformRand();       
388       if (rand_temp < (aTemp - tempLH.first) /    
389         secondaryParam = sample_inelastic_E_mu    
390       else                                        
391         secondaryParam = sample_inelastic_E_mu    
392                                                   
393       sE = secondaryParam.first;                  
394       mu = secondaryParam.second;                 
395                                                   
396       // set                                      
397       theParticleChange.SetEnergyChange(sE);      
398       G4double phi = CLHEP::twopi * G4UniformR    
399       G4double sint = std::sqrt(1 - mu * mu);     
400       theParticleChange.SetMomentumChange(sint    
401     }                                             
402     else if (random                               
403              <= (inelastic + theXSection->GetC    
404                   / total)                        
405     {                                             
406       // Coherent Elastic                         
407                                                   
408       G4double E = aTrack.GetKineticEnergy();     
409                                                   
410       // T_L and T_H                              
411       std::vector<G4double> v_temp;               
412       v_temp.clear();                             
413       for (auto it = coherentFSs->find(ielemen    
414            it != coherentFSs->find(ielement)->    
415       {                                           
416         v_temp.push_back(it->first);              
417       }                                           
418                                                   
419       //          T_L        T_H                  
420       std::pair<G4double, G4double> tempLH = f    
421       //                                          
422       //                                          
423       // For T_L anEPM_TL  and T_H anEPM_TH       
424       //                                          
425       std::vector<std::pair<G4double, G4double    
426       std::vector<std::pair<G4double, G4double    
427                                                   
428       if (tempLH.first != 0.0 && tempLH.second    
429         pvE_p_TL = coherentFSs->find(ielement)    
430         pvE_p_TH = coherentFSs->find(ielement)    
431       }                                           
432       else if (tempLH.first == 0.0) {             
433         pvE_p_TL = coherentFSs->find(ielement)    
434         pvE_p_TH = coherentFSs->find(ielement)    
435         tempLH.first = tempLH.second;             
436         tempLH.second = v_temp[1];                
437       }                                           
438       else if (tempLH.second == 0.0) {            
439         pvE_p_TH = coherentFSs->find(ielement)    
440         auto itv = v_temp.cend();                 
441         --itv;                                    
442         --itv;                                    
443         pvE_p_TL = coherentFSs->find(ielement)    
444         tempLH.second = tempLH.first;             
445         tempLH.first = *itv;                      
446       }                                           
447       else {                                      
448         // tempLH.first == 0.0 && tempLH.secon    
449         throw G4HadronicException(                
450           __FILE__, __LINE__,                     
451           "A problem is found in Thermal Scatt    
452       }                                           
453                                                   
454       std::vector<G4double> vE_T;                 
455       std::vector<G4double> vp_T;                 
456                                                   
457       auto n1 = (G4int)pvE_p_TL->size();          
458                                                   
459       // New Geant4 method - Stochastic interp    
460       std::vector<std::pair<G4double, G4double    
461       G4double rand_temp = G4UniformRand();       
462       if (rand_temp < (aTemp - tempLH.first) /    
463         pvE_p_T_sampled = pvE_p_TH;               
464       else                                        
465         pvE_p_T_sampled = pvE_p_TL;               
466                                                   
467       // 171005 fix bug, contribution from H.N    
468       for (G4int i = 0; i < n1; ++i) {            
469         vE_T.push_back((*pvE_p_T_sampled)[i]->    
470         vp_T.push_back((*pvE_p_T_sampled)[i]->    
471       }                                           
472                                                   
473       G4int j = 0;                                
474       for (G4int i = 1; i < n1; ++i) {            
475         if (E / eV < vE_T[i]) {                   
476           j = i - 1;                              
477           break;                                  
478         }                                         
479       }                                           
480                                                   
481       G4double rand_for_mu = G4UniformRand();     
482                                                   
483       G4int k = 0;                                
484       for (G4int i = 0; i <= j; ++i) {            
485         G4double Pi = vp_T[i] / vp_T[j];          
486         if (rand_for_mu < Pi) {                   
487           k = i;                                  
488           break;                                  
489         }                                         
490       }                                           
491                                                   
492       G4double Ei = vE_T[k];                      
493                                                   
494       G4double mu = 1 - 2 * Ei / (E / eV);        
495                                                   
496       if (mu < -1.0) mu = -1.0;                   
497                                                   
498       theParticleChange.SetEnergyChange(E);       
499       G4double phi = CLHEP::twopi * G4UniformR    
500       G4double sint = std::sqrt(1 - mu * mu);     
501       theParticleChange.SetMomentumChange(sint    
502     }                                             
503     else {                                        
504       // InCoherent Elastic                       
505                                                   
506       // T_L and T_H                              
507       std::vector<G4double> v_temp;               
508       v_temp.clear();                             
509       for (auto it = incoherentFSs->find(ielem    
510            it != incoherentFSs->find(ielement)    
511       {                                           
512         v_temp.push_back(it->first);              
513       }                                           
514                                                   
515       //          T_L        T_H                  
516       std::pair<G4double, G4double> tempLH = f    
517                                                   
518       //                                          
519       // For T_L anEPM_TL  and T_H anEPM_TH       
520       //                                          
521                                                   
522       E_isoAng anEPM_TL_E;                        
523       E_isoAng anEPM_TH_E;                        
524                                                   
525       if (tempLH.first != 0.0 && tempLH.second    
526         // Interpolate TL and TH                  
527         anEPM_TL_E = create_E_isoAng_from_ener    
528           aTrack.GetKineticEnergy(),              
529           incoherentFSs->find(ielement)->secon    
530         anEPM_TH_E = create_E_isoAng_from_ener    
531           aTrack.GetKineticEnergy(),              
532           incoherentFSs->find(ielement)->secon    
533       }                                           
534       else if (tempLH.first == 0.0) {             
535         // Extrapolate T0 and T1                  
536         anEPM_TL_E = create_E_isoAng_from_ener    
537           aTrack.GetKineticEnergy(),              
538           incoherentFSs->find(ielement)->secon    
539         anEPM_TH_E = create_E_isoAng_from_ener    
540           aTrack.GetKineticEnergy(),              
541           incoherentFSs->find(ielement)->secon    
542         tempLH.first = tempLH.second;             
543         tempLH.second = v_temp[1];                
544       }                                           
545       else if (tempLH.second == 0.0) {            
546         // Extrapolate Tmax-1 and Tmax            
547         anEPM_TH_E = create_E_isoAng_from_ener    
548           aTrack.GetKineticEnergy(),              
549           incoherentFSs->find(ielement)->secon    
550         auto itv = v_temp.cend();                 
551         --itv;                                    
552         --itv;                                    
553         anEPM_TL_E = create_E_isoAng_from_ener    
554           aTrack.GetKineticEnergy(), incoheren    
555         tempLH.second = tempLH.first;             
556         tempLH.first = *itv;                      
557       }                                           
558                                                   
559       // E_isoAng for aTemp and aTrack.GetKine    
560       G4double mu = 1.0;                          
561                                                   
562       // New Geant4 method - Stochastic interp    
563       E_isoAng anEPM_T_E_sampled;                 
564       G4double rand_temp = G4UniformRand();       
565       if (rand_temp < (aTemp - tempLH.first) /    
566         anEPM_T_E_sampled = std::move(anEPM_TH    
567       else                                        
568         anEPM_T_E_sampled = std::move(anEPM_TL    
569                                                   
570       mu = getMu(&anEPM_T_E_sampled);             
571                                                   
572       // Set Final State                          
573       theParticleChange.SetEnergyChange(aTrack    
574       G4double phi = CLHEP::twopi * G4UniformR    
575       G4double sint = std::sqrt(1 - mu * mu);     
576       theParticleChange.SetMomentumChange(sint    
577     }                                             
578     delete dp;                                    
579                                                   
580     return &theParticleChange;                    
581   }                                               
582   // Not thermal element                          
583   // Neutron HP will handle                       
584   return theHPElastic->ApplyYourself(aTrack, a    
585                                      true);  /    
586 }                                                 
587                                                   
588 //********************************************    
589 // Geant4 new algorithm                           
590 //********************************************    
591                                                   
592 //--------------------------------------------    
593 // New method added by L. Thulliez 2021 (CEA-S    
594 //--------------------------------------------    
595 std::pair<G4double, G4int>                        
596 G4ParticleHPThermalScattering::sample_inelasti    
597                                                   
598 {                                                 
599   G4int i = 0;                                    
600   G4double sE_value = 0;                          
601                                                   
602   for (; i < anE_P_E_isoAng->secondary_energy_    
603     if (rndm1 >= anE_P_E_isoAng->secondary_ene    
604         && rndm1 < anE_P_E_isoAng->secondary_e    
605     {                                             
606       G4double sE_value_i = anE_P_E_isoAng->se    
607       G4double sE_pdf_i = anE_P_E_isoAng->seco    
608       G4double sE_value_i1 = anE_P_E_isoAng->s    
609       G4double sE_pdf_i1 = anE_P_E_isoAng->sec    
610                                                   
611       G4double lambda = 0;                        
612       G4double alpha = (sE_pdf_i1 - sE_pdf_i)     
613       G4double rndm = rndm1;                      
614                                                   
615       if (std::fabs(alpha) < 1E-8) {              
616         lambda = rndm2;                           
617       }                                           
618       else {                                      
619         G4double beta = 2 * sE_pdf_i / (sE_pdf    
620         rndm = rndm2;                             
621         G4double gamma = -rndm;                   
622         G4double delta = beta * beta - 4 * alp    
623                                                   
624         if (delta < 0 && std::fabs(delta) < 1.    
625                                                   
626         lambda = -beta + std::sqrt(delta);        
627         lambda = lambda / (2 * alpha);            
628                                                   
629         if (lambda > 1)                           
630           lambda = 1;                             
631         else if (lambda < 0)                      
632           lambda = 0;                             
633       }                                           
634                                                   
635       sE_value = sE_value_i + lambda * (sE_val    
636                                                   
637       break;                                      
638     }                                             
639   }                                               
640                                                   
641   return std::pair<G4double, G4int>(sE_value,     
642 }                                                 
643                                                   
644 //--------------------------------------------    
645 // New method added by L. Thulliez 2021 (CEA-S    
646 //--------------------------------------------    
647 std::pair<G4double, G4double>                     
648 G4ParticleHPThermalScattering::sample_inelasti    
649                                                   
650 {                                                 
651   // Sample primary energy bin                    
652   std::map<G4double, G4int> map_energy;           
653   map_energy.clear();                             
654   std::vector<G4double> v_energy;                 
655   v_energy.clear();                               
656   G4int i = 0;                                    
657   for (auto itv = vNEP_EPM->cbegin(); itv != v    
658     v_energy.push_back((*itv)->energy);           
659     map_energy.insert(std::pair<G4double, G4in    
660     i++;                                          
661   }                                               
662                                                   
663   std::pair<G4double, G4double> energyLH = fin    
664                                                   
665   std::vector<E_P_E_isoAng*> pE_P_E_isoAng_lim    
666                                                   
667   if (energyLH.first != 0.0 && energyLH.second    
668     pE_P_E_isoAng_limit[0] = (*vNEP_EPM)[map_e    
669     pE_P_E_isoAng_limit[1] = (*vNEP_EPM)[map_e    
670   }                                               
671   else if (energyLH.first == 0.0) {               
672     pE_P_E_isoAng_limit[0] = (*vNEP_EPM)[0];      
673     pE_P_E_isoAng_limit[1] = (*vNEP_EPM)[1];      
674   }                                               
675   if (energyLH.second == 0.0) {                   
676     pE_P_E_isoAng_limit[1] = (*vNEP_EPM).back(    
677     auto itv = vNEP_EPM->cend();                  
678     --itv;                                        
679     --itv;                                        
680     pE_P_E_isoAng_limit[0] = *itv;                
681   }                                               
682                                                   
683   // Compute interpolation factor of the incid    
684   G4double factor = (energyLH.second - pE) / (    
685                                                   
686   if ((energyLH.second - pE) <= 0. && std::fab    
687   if ((energyLH.first - pE) >= 0. && std::fabs    
688                                                   
689   G4double rndm1 = G4UniformRand();               
690   G4double rndm2 = G4UniformRand();               
691                                                   
692   // Sample secondary neutron energy              
693   std::pair<G4double, G4int> sE_lower = sample    
694   std::pair<G4double, G4int> sE_upper = sample    
695   G4double sE = factor * sE_lower.first + (1 -    
696   sE = sE * eV;                                   
697                                                   
698   // Sample cosine knowing the secondary neutr    
699   rndm1 = G4UniformRand();                        
700   rndm2 = G4UniformRand();                        
701   G4double mu_lower = getMu(rndm1, rndm2, pE_P    
702   G4double mu_upper = getMu(rndm1, rndm2, pE_P    
703   G4double mu = factor * mu_lower + (1 - facto    
704                                                   
705   return std::pair<G4double, G4double>(sE, mu)    
706 }                                                 
707                                                   
708 //--------------------------------------------    
709 // New method added by L. Thulliez 2021 (CEA-S    
710 //--------------------------------------------    
711 G4double G4ParticleHPThermalScattering::getMu(    
712 {                                                 
713   G4double result = 0.0;                          
714                                                   
715   auto in = G4int(rndm1 * ((*anEPM).n));          
716                                                   
717   if (in != 0) {                                  
718     G4double mu_l = (*anEPM).isoAngle[in - 1];    
719     G4double mu_h = (*anEPM).isoAngle[in];        
720     result = (mu_h - mu_l) * (rndm1 * ((*anEPM    
721   }                                               
722   else {                                          
723     G4double x = rndm1 * (*anEPM).n;              
724     G4double ratio = 0.5;                         
725     if (x <= ratio) {                             
726       G4double mu_l = -1;                         
727       G4double mu_h = (*anEPM).isoAngle[0];       
728       result = (mu_h - mu_l) * rndm2 + mu_l;      
729     }                                             
730     else {                                        
731       G4double mu_l = (*anEPM).isoAngle[(*anEP    
732       G4double mu_h = 1;                          
733       result = (mu_h - mu_l) * rndm2 + mu_l;      
734     }                                             
735   }                                               
736                                                   
737   return result;                                  
738 }                                                 
739                                                   
740 //********************************************    
741 // Geant4 previous algorithm                      
742 //********************************************    
743                                                   
744 G4double G4ParticleHPThermalScattering::getMu(    
745 {                                                 
746   G4double random = G4UniformRand();              
747   G4double result = 0.0;                          
748                                                   
749   auto in = G4int(random * ((*anEPM).n));         
750                                                   
751   if (in != 0) {                                  
752     G4double mu_l = (*anEPM).isoAngle[in - 1];    
753     G4double mu_h = (*anEPM).isoAngle[in];        
754     result = (mu_h - mu_l) * (random * ((*anEP    
755   }                                               
756   else {                                          
757     G4double x = random * (*anEPM).n;             
758     // Bugzilla 1971                              
759     G4double ratio = 0.5;                         
760     G4double xx = G4UniformRand();                
761     if (x <= ratio) {                             
762       G4double mu_l = -1;                         
763       G4double mu_h = (*anEPM).isoAngle[0];       
764       result = (mu_h - mu_l) * xx + mu_l;         
765     }                                             
766     else {                                        
767       G4double mu_l = (*anEPM).isoAngle[(*anEP    
768       G4double mu_h = 1;                          
769       result = (mu_h - mu_l) * xx + mu_l;         
770     }                                             
771   }                                               
772   return result;                                  
773 }                                                 
774                                                   
775 std::pair<G4double, G4double> G4ParticleHPTher    
776                                                   
777 {                                                 
778   G4double LL = 0.0;                              
779   G4double H = 0.0;                               
780                                                   
781   // v->size() == 1 --> LL=H=v(0)                 
782   if (aVector->size() == 1) {                     
783     LL = aVector->front();                        
784     H = aVector->front();                         
785   }                                               
786   else {                                          
787     // 1) temp < v(0) -> LL=0.0 H=v(0)            
788     // 2) v(i-1) < temp <= v(i) -> LL=v(i-1) H    
789     // 3) v(imax) < temp -> LL=v(imax) H=0.0      
790     for (auto it = aVector->cbegin(); it != aV    
791       if (x <= *it) {                             
792         H = *it;                                  
793         if (it != aVector->cbegin()) {            
794           // 2)                                   
795           it--;                                   
796           LL = *it;                               
797         }                                         
798         else {                                    
799           // 1)                                   
800           LL = 0.0;                               
801         }                                         
802         break;                                    
803       }                                           
804     }                                             
805     // 3)                                         
806     if (H == 0.0) LL = aVector->back();           
807   }                                               
808                                                   
809   return std::pair<G4double, G4double>(LL, H);    
810 }                                                 
811                                                   
812 G4double G4ParticleHPThermalScattering::get_li    
813                                                   
814                                                   
815 {                                                 
816   G4double y = 0.0;                               
817   if (High.first - Low.first != 0) {              
818     y = (High.second - Low.second) / (High.fir    
819   }                                               
820   else {                                          
821     if (High.second == Low.second) {              
822       y = High.second;                            
823     }                                             
824     else {                                        
825       G4cout << "G4ParticleHPThermalScattering    
826     }                                             
827   }                                               
828                                                   
829   return y;                                       
830 }                                                 
831                                                   
832 E_isoAng G4ParticleHPThermalScattering::create    
833                                                   
834 {                                                 
835   E_isoAng anEPM_T_E;                             
836                                                   
837   std::vector<G4double> v_e;                      
838   v_e.clear();                                    
839   for (auto iv = vEPM->cbegin(); iv != vEPM->c    
840     v_e.push_back((*iv)->energy);                 
841                                                   
842   std::pair<G4double, G4double> energyLH = fin    
843   // G4cout << " " << energy/eV << " " << ener    
844                                                   
845   E_isoAng* panEPM_T_EL = nullptr;                
846   E_isoAng* panEPM_T_EH = nullptr;                
847                                                   
848   if (energyLH.first != 0.0 && energyLH.second    
849     for (auto iv = vEPM->cbegin(); iv != vEPM-    
850       if (energyLH.first == (*iv)->energy) {      
851         panEPM_T_EL = *iv;                        
852         ++iv;                                     
853         panEPM_T_EH = *iv;                        
854         break;                                    
855       }                                           
856     }                                             
857   }                                               
858   else if (energyLH.first == 0.0) {               
859     panEPM_T_EL = (*vEPM)[0];                     
860     panEPM_T_EH = (*vEPM)[1];                     
861   }                                               
862   else if (energyLH.second == 0.0) {              
863     panEPM_T_EH = (*vEPM).back();                 
864     auto iv = vEPM->cend();                       
865     --iv;                                         
866     --iv;                                         
867     panEPM_T_EL = *iv;                            
868   }                                               
869                                                   
870   if (panEPM_T_EL != nullptr && panEPM_T_EH !=    
871     // checking isoAng has proper values or no    
872     //  Inelastic/FS, the first and last entri    
873     if (!(check_E_isoAng(panEPM_T_EL))) panEPM    
874     if (!(check_E_isoAng(panEPM_T_EH))) panEPM    
875                                                   
876     if (panEPM_T_EL->n == panEPM_T_EH->n) {       
877       anEPM_T_E.energy = energy;                  
878       anEPM_T_E.n = panEPM_T_EL->n;               
879                                                   
880       for (G4int i = 0; i < panEPM_T_EL->n; ++    
881         G4double angle;                           
882         angle = get_linear_interpolated(          
883           energy, std::pair<G4double, G4double    
884           std::pair<G4double, G4double>(energy    
885         anEPM_T_E.isoAngle.push_back(angle);      
886       }                                           
887     }                                             
888     else {                                        
889       G4Exception("G4ParticleHPThermalScatteri    
890                   JustWarning,                    
891                   "G4ParticleHPThermalScatteri    
892     }                                             
893   }                                               
894   else {                                          
895     G4Exception("G4ParticleHPThermalScattering    
896                 FatalException, "Pointer panEP    
897   }                                               
898                                                   
899   return anEPM_T_E;                               
900 }                                                 
901                                                   
902 G4double                                          
903 G4ParticleHPThermalScattering::get_secondary_e    
904                                                   
905 {                                                 
906   G4double secondary_energy = 0.0;                
907                                                   
908   G4int n = anE_P_E_isoAng->n;                    
909   G4double sum_p = 0.0;  // sum_p_H               
910   G4double sum_p_L = 0.0;                         
911                                                   
912   G4double total = 0.0;                           
913                                                   
914   /*                                              
915      delete for speed up                          
916      for ( G4int i = 0 ; i < n-1 ; ++i )          
917      {                                            
918         G4double E_L = anE_P_E_isoAng->vE_isoA    
919         G4double E_H = anE_P_E_isoAng->vE_isoA    
920         G4double dE = E_H - E_L;                  
921         total += ( ( anE_P_E_isoAng->prob[i] )    
922      }                                            
923                                                   
924      if ( std::abs( total - anE_P_E_isoAng->su    
925      anE_P_E_isoAng->sum_of_probXdEs << G4endl    
926   */                                              
927   total = anE_P_E_isoAng->sum_of_probXdEs;        
928                                                   
929   for (G4int i = 0; i < n - 1; ++i) {             
930     G4double E_L = anE_P_E_isoAng->vE_isoAngle    
931     G4double E_H = anE_P_E_isoAng->vE_isoAngle    
932     G4double dE = E_H - E_L;                      
933     sum_p += ((anE_P_E_isoAng->prob[i]) * dE);    
934                                                   
935     if (random <= sum_p / total) {                
936       secondary_energy =                          
937         get_linear_interpolated(random, std::p    
938                                 std::pair<G4do    
939       secondary_energy = secondary_energy * eV    
940       break;                                      
941     }                                             
942     sum_p_L = sum_p;                              
943   }                                               
944                                                   
945   return secondary_energy;                        
946 }                                                 
947                                                   
948 std::pair<G4double, E_isoAng>                     
949 G4ParticleHPThermalScattering::create_sE_and_E    
950   G4double rand_for_sE, G4double pE, std::vect    
951 {                                                 
952   std::map<G4double, G4int> map_energy;           
953   map_energy.clear();                             
954   std::vector<G4double> v_energy;                 
955   v_energy.clear();                               
956   G4int i = 0;                                    
957   for (auto itv = vNEP_EPM->cbegin(); itv != v    
958     v_energy.push_back((*itv)->energy);           
959     map_energy.insert(std::pair<G4double, G4in    
960     i++;                                          
961   }                                               
962                                                   
963   std::pair<G4double, G4double> energyLH = fin    
964                                                   
965   E_P_E_isoAng* pE_P_E_isoAng_EL = nullptr;       
966   E_P_E_isoAng* pE_P_E_isoAng_EH = nullptr;       
967                                                   
968   if (energyLH.first != 0.0 && energyLH.second    
969     pE_P_E_isoAng_EL = (*vNEP_EPM)[map_energy.    
970     pE_P_E_isoAng_EH = (*vNEP_EPM)[map_energy.    
971   }                                               
972   else if (energyLH.first == 0.0) {               
973     pE_P_E_isoAng_EL = (*vNEP_EPM)[0];            
974     pE_P_E_isoAng_EH = (*vNEP_EPM)[1];            
975   }                                               
976   if (energyLH.second == 0.0) {                   
977     pE_P_E_isoAng_EH = (*vNEP_EPM).back();        
978     auto itv = vNEP_EPM->cend();                  
979     --itv;                                        
980     --itv;                                        
981     pE_P_E_isoAng_EL = *itv;                      
982   }                                               
983                                                   
984   G4double sE;                                    
985   G4double sE_L;                                  
986   G4double sE_H;                                  
987                                                   
988   sE_L = get_secondary_energy_from_E_P_E_isoAn    
989   sE_H = get_secondary_energy_from_E_P_E_isoAn    
990                                                   
991   sE = get_linear_interpolated(pE, std::pair<G    
992                                std::pair<G4dou    
993                                                   
994   E_isoAng E_isoAng_L = create_E_isoAng_from_e    
995   E_isoAng E_isoAng_H = create_E_isoAng_from_e    
996                                                   
997   E_isoAng anE_isoAng;                            
998   // For defeating warning message from compil    
999   anE_isoAng.n = 1;                               
1000   anE_isoAng.energy = sE;  // never used         
1001   if (E_isoAng_L.n == E_isoAng_H.n) {            
1002     anE_isoAng.n = E_isoAng_L.n;                 
1003     for (G4int j = 0; j < anE_isoAng.n; ++j)     
1004       G4double angle;                            
1005       angle =                                    
1006         get_linear_interpolated(sE, std::pair    
1007                                 std::pair<G4d    
1008       anE_isoAng.isoAngle.push_back(angle);      
1009     }                                            
1010   }                                              
1011   else {                                         
1012     throw G4HadronicException(__FILE__, __LIN    
1013   }                                              
1014                                                  
1015   return std::pair<G4double, E_isoAng>(sE, an    
1016 }                                                
1017                                                  
1018 void G4ParticleHPThermalScattering::buildPhys    
1019 {                                                
1020   // Is rebuild of physics table a necessity     
1021   if (nMaterial == G4Material::GetMaterialTab    
1022       && nElement == G4Element::GetElementTab    
1023   {                                              
1024     return;                                      
1025   }                                              
1026   nMaterial = G4Material::GetMaterialTable()-    
1027   nElement = G4Element::GetElementTable()->si    
1028                                                  
1029   dic.clear();                                   
1030   std::map<G4String, G4int> co_dic;              
1031                                                  
1032   // Searching Nist Materials                    
1033   static G4ThreadLocal G4MaterialTable* theMa    
1034   if (theMaterialTable == nullptr) theMateria    
1035   std::size_t numberOfMaterials = G4Material:    
1036   for (std::size_t i = 0; i < numberOfMateria    
1037     G4Material* material = (*theMaterialTable    
1038     auto numberOfElements = (G4int)material->    
1039     for (G4int j = 0; j < numberOfElements; +    
1040       const G4Element* element = material->Ge    
1041       if (names.IsThisThermalElement(material    
1042         G4int ts_ID_of_this_geometry;            
1043         G4String ts_ndl_name = names.GetTS_ND    
1044         if (co_dic.find(ts_ndl_name) != co_di    
1045           ts_ID_of_this_geometry = co_dic.fin    
1046         }                                        
1047         else {                                   
1048           ts_ID_of_this_geometry = (G4int)co_    
1049           co_dic.insert(std::pair<G4String, G    
1050         }                                        
1051                                                  
1052         // G4cout << "Neutron HP Thermal Scat    
1053         //        << material->GetName() << "    
1054         //        << " as internal thermal sc    
1055         //        G4endl;                        
1056                                                  
1057         dic.insert(std::pair<std::pair<G4Mate    
1058           std::pair<G4Material*, const G4Elem    
1059       }                                          
1060     }                                            
1061   }                                              
1062                                                  
1063   // Searching TS Elements                       
1064   auto theElementTable = G4Element::GetElemen    
1065   std::size_t numberOfElements = G4Element::G    
1066   for (std::size_t i = 0; i < numberOfElement    
1067     const G4Element* element = (*theElementTa    
1068     if (names.IsThisThermalElement(element->G    
1069       if (names.IsThisThermalElement(element-    
1070         G4int ts_ID_of_this_geometry;            
1071         G4String ts_ndl_name = names.GetTS_ND    
1072         if (co_dic.find(ts_ndl_name) != co_di    
1073           ts_ID_of_this_geometry = co_dic.fin    
1074         }                                        
1075         else {                                   
1076           ts_ID_of_this_geometry = (G4int)co_    
1077           co_dic.insert(std::pair<G4String, G    
1078         }                                        
1079         dic.insert(std::pair<std::pair<const     
1080           std::pair<const G4Material*, const     
1081           ts_ID_of_this_geometry));              
1082       }                                          
1083     }                                            
1084   }                                              
1085                                                  
1086   G4cout << G4endl;                              
1087   G4cout                                         
1088     << "Neutron HP Thermal Scattering: Follow    
1089     << G4endl;                                   
1090   for (const auto& it : dic) {                   
1091     if (it.first.first != nullptr) {             
1092       G4cout << "Material " << it.first.first    
1093              << it.first.second->GetName() <<    
1094              << G4endl;                          
1095     }                                            
1096     else {                                       
1097       G4cout << "Element " << it.first.second    
1098              << it.second << G4endl;             
1099     }                                            
1100   }                                              
1101   G4cout << G4endl;                              
1102                                                  
1103   // Read Cross Section Data files               
1104                                                  
1105   G4ParticleHPManager* hpmanager = G4Particle    
1106   coherentFSs = hpmanager->GetThermalScatteri    
1107   incoherentFSs = hpmanager->GetThermalScatte    
1108   inelasticFSs = hpmanager->GetThermalScatter    
1109                                                  
1110   if (G4Threading::IsMasterThread()) {           
1111     clearCurrentFSData();                        
1112                                                  
1113     if (coherentFSs == nullptr)                  
1114       coherentFSs =                              
1115         new std::map<G4int, std::map<G4double    
1116     if (incoherentFSs == nullptr)                
1117       incoherentFSs = new std::map<G4int, std    
1118     if (inelasticFSs == nullptr)                 
1119       inelasticFSs = new std::map<G4int, std:    
1120                                                  
1121     G4String dirName;                            
1122     if (G4FindDataDir("G4NEUTRONHPDATA") == n    
1123       throw G4HadronicException(                 
1124         __FILE__, __LINE__,                      
1125         "Please setenv G4NEUTRONHPDATA to poi    
1126     dirName = G4FindDataDir("G4NEUTRONHPDATA"    
1127                                                  
1128     for (const auto& it : co_dic) {              
1129       G4String tsndlName = it.first;             
1130       G4int ts_ID = it.second;                   
1131                                                  
1132       // Coherent                                
1133       G4String fsName = "/ThermalScattering/C    
1134       G4String fileName = dirName + fsName +     
1135       coherentFSs->insert(                       
1136         std::pair<G4int, std::map<G4double, s    
1137           ts_ID, readACoherentFSDATA(fileName    
1138                                                  
1139       // incoherent elastic                      
1140       fsName = "/ThermalScattering/Incoherent    
1141       fileName = dirName + fsName + tsndlName    
1142       incoherentFSs->insert(std::pair<G4int,     
1143         ts_ID, readAnIncoherentFSDATA(fileNam    
1144                                                  
1145       // inelastic                               
1146       fsName = "/ThermalScattering/Inelastic/    
1147       fileName = dirName + fsName + tsndlName    
1148       inelasticFSs->insert(std::pair<G4int, s    
1149         ts_ID, readAnInelasticFSDATA(fileName    
1150     }                                            
1151                                                  
1152     hpmanager->RegisterThermalScatteringCoher    
1153     hpmanager->RegisterThermalScatteringIncoh    
1154     hpmanager->RegisterThermalScatteringInela    
1155   }                                              
1156                                                  
1157   theXSection->BuildPhysicsTable(*(G4Neutron:    
1158 }                                                
1159                                                  
1160 G4int G4ParticleHPThermalScattering::getTS_ID    
1161 {                                                
1162   G4int result = -1;                             
1163   if (dic.find(std::pair<const G4Material*, c    
1164     result = dic.find(std::pair<const G4Mater    
1165   return result;                                 
1166 }                                                
1167                                                  
1168 const std::pair<G4double, G4double> G4Particl    
1169 {                                                
1170   // max energy non-conservation is mass of h    
1171   return std::pair<G4double, G4double>(10.0 *    
1172 }                                                
1173                                                  
1174 void G4ParticleHPThermalScattering::AddUserTh    
1175                                                  
1176 {                                                
1177   names.AddThermalElement(nameG4Element, file    
1178   theXSection->AddUserThermalScatteringFile(n    
1179   buildPhysicsTable();                           
1180 }                                                
1181                                                  
1182 G4bool G4ParticleHPThermalScattering::check_E    
1183 {                                                
1184   G4bool result = false;                         
1185                                                  
1186   G4int n = anE_IsoAng->n;                       
1187   G4double sum = 0.0;                            
1188   for (G4int i = 0; i < n; ++i) {                
1189     sum += anE_IsoAng->isoAngle[i];              
1190   }                                              
1191   if (sum != 0.0) result = true;                 
1192                                                  
1193   return result;                                 
1194 }                                                
1195                                                  
1196 void G4ParticleHPThermalScattering::ModelDesc    
1197 {                                                
1198   outFile << "High Precision model based on t    
1199           << "evaluated nuclear data librarie    
1200           << "on specific materials\n";          
1201 }                                                
1202