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Geant4/processes/electromagnetic/lowenergy/src/G4UAtomicDeexcitation.cc

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Differences between /processes/electromagnetic/lowenergy/src/G4UAtomicDeexcitation.cc (Version 11.3.0) and /processes/electromagnetic/lowenergy/src/G4UAtomicDeexcitation.cc (Version 11.0.p3,)


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  1 //                                                  1 
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 11 // * Neither the authors of this software syst    
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 14 // * regarding  this  software system or assum    
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 18 // * This  code  implementation is the result     
 19 // * technical work of the GEANT4 collaboratio    
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 24 // *******************************************    
 25 //                                                
 26 //                                                
 27 // -------------------------------------------    
 28 //                                                
 29 // Geant4 Class file                              
 30 //                                                
 31 // Authors: Alfonso Mantero (Alfonso.Mantero@g    
 32 //                                                
 33 // Created 22 April 2010 from old G4UAtomicDee    
 34 //                                                
 35 // Modified:                                      
 36 // ---------                                      
 37 // 20 Oct 2011  Alf  modified to take into acc    
 38 // 03 Nov 2011  Alf  Extended Empirical and Fo    
 39 //                   out thei ranges with Anal    
 40 // 07 Nov 2011  Alf  Restored original ioniati    
 41 //                   letting scaled ones for o    
 42 // 20 Mar 2012  LP   Register G4PenelopeIonisa    
 43 //                                                
 44 // -------------------------------------------    
 45 //                                                
 46 // Class description:                             
 47 // Implementation of atomic deexcitation          
 48 //                                                
 49 // -------------------------------------------    
 50                                                   
 51 #include "G4UAtomicDeexcitation.hh"               
 52 #include "G4PhysicalConstants.hh"                 
 53 #include "G4SystemOfUnits.hh"                     
 54 #include "Randomize.hh"                           
 55 #include "G4Gamma.hh"                             
 56 #include "G4AtomicTransitionManager.hh"           
 57 #include "G4FluoTransition.hh"                    
 58 #include "G4Electron.hh"                          
 59 #include "G4Positron.hh"                          
 60 #include "G4Proton.hh"                            
 61 #include "G4Alpha.hh"                             
 62                                                   
 63 #include "G4teoCrossSection.hh"                   
 64 #include "G4empCrossSection.hh"                   
 65 #include "G4PenelopeIonisationCrossSection.hh"    
 66 #include "G4LivermoreIonisationCrossSection.hh    
 67 #include "G4EmCorrections.hh"                     
 68 #include "G4LossTableManager.hh"                  
 69 #include "G4EmParameters.hh"                      
 70 #include "G4Material.hh"                          
 71 #include "G4AtomicShells.hh"                      
 72                                                   
 73 using namespace std;                              
 74                                                   
 75 //....oooOO0OOooo........oooOO0OOooo........oo    
 76                                                   
 77 G4UAtomicDeexcitation::G4UAtomicDeexcitation()    
 78   G4VAtomDeexcitation("UAtomDeexcitation"),       
 79   minGammaEnergy(DBL_MAX),                        
 80   minElectronEnergy(DBL_MAX),                     
 81   newShellId(-1)                                  
 82 {                                                 
 83   anaPIXEshellCS = nullptr;                       
 84   PIXEshellCS    = nullptr;                       
 85   ePIXEshellCS   = nullptr;                       
 86   emcorr = G4LossTableManager::Instance()->EmC    
 87   theElectron = G4Electron::Electron();           
 88   thePositron = G4Positron::Positron();           
 89   transitionManager = G4AtomicTransitionManage    
 90 }                                                 
 91                                                   
 92 //....oooOO0OOooo........oooOO0OOooo........oo    
 93                                                   
 94 G4UAtomicDeexcitation::~G4UAtomicDeexcitation(    
 95 {                                                 
 96   delete anaPIXEshellCS;                          
 97   delete PIXEshellCS;                             
 98   delete ePIXEshellCS;                            
 99 }                                                 
100                                                   
101 //....oooOO0OOooo........oooOO0OOooo........oo    
102                                                   
103 void G4UAtomicDeexcitation::InitialiseForNewRu    
104 {                                                 
105   if(!IsFluoActive()) { return; }                 
106   transitionManager->Initialise();                
107   if(!IsPIXEActive()) { return; }                 
108                                                   
109   if(!anaPIXEshellCS) {                           
110     anaPIXEshellCS = new G4teoCrossSection("EC    
111   }                                               
112   G4cout << G4endl;                               
113   G4cout << "### === G4UAtomicDeexcitation::In    
114                                                   
115   G4EmParameters* param = G4EmParameters::Inst    
116   G4String namePIXExsModel = param->PIXECrossS    
117   G4String namePIXExsElectronModel = param->PI    
118                                                   
119   // Check if old cross section for p/ion shou    
120   if(PIXEshellCS && namePIXExsModel != PIXEshe    
121     {                                             
122       delete PIXEshellCS;                         
123       PIXEshellCS = nullptr;                      
124     }                                             
125                                                   
126   // Instantiate new proton/ion cross section     
127   if(!PIXEshellCS) {                              
128     if (namePIXExsModel == "ECPSSR_FormFactor"    
129       {                                           
130   PIXEshellCS = new G4teoCrossSection(namePIXE    
131       }                                           
132     else if(namePIXExsModel == "ECPSSR_ANSTO")    
133       {                                           
134   PIXEshellCS = new G4teoCrossSection(namePIXE    
135       }                                           
136     else if(namePIXExsModel == "Empirical")       
137       {                                           
138   PIXEshellCS = new G4empCrossSection(namePIXE    
139       }                                           
140   }                                               
141                                                   
142   // Check if old cross section for e+- should    
143   if(ePIXEshellCS && namePIXExsElectronModel !    
144     {                                             
145       delete ePIXEshellCS;                        
146       ePIXEshellCS = nullptr;                     
147     }                                             
148                                                   
149   // Instantiate new e+- cross section            
150   if(nullptr == ePIXEshellCS)                     
151     {                                             
152       if(namePIXExsElectronModel == "Empirical    
153   {                                               
154     ePIXEshellCS = new G4empCrossSection("Empi    
155   }                                               
156       else if(namePIXExsElectronModel == "ECPS    
157   {                                               
158     ePIXEshellCS = new G4teoCrossSection("ECPS    
159   }                                               
160       else if (namePIXExsElectronModel == "Pen    
161   {                                               
162     ePIXEshellCS = new G4PenelopeIonisationCro    
163   }                                               
164       else                                        
165   {                                               
166     ePIXEshellCS = new G4LivermoreIonisationCr    
167   }                                               
168     }                                             
169 }                                                 
170                                                   
171 //....oooOO0OOooo........oooOO0OOooo........oo    
172                                                   
173 void G4UAtomicDeexcitation::InitialiseForExtra    
174 {}                                                
175                                                   
176 //....oooOO0OOooo........oooOO0OOooo........oo    
177                                                   
178 const G4AtomicShell*                              
179 G4UAtomicDeexcitation::GetAtomicShell(G4int Z,    
180 {                                                 
181   return transitionManager->Shell(Z, (std::siz    
182 }                                                 
183                                                   
184 //....oooOO0OOooo........oooOO0OOooo........oo    
185                                                   
186 void G4UAtomicDeexcitation::GenerateParticles(    
187                 std::vector<G4DynamicParticle*    
188           const G4AtomicShell* atomicShell,       
189           G4int Z,                                
190           G4double gammaCut,                      
191           G4double eCut)                          
192 {                                                 
193   // Defined initial conditions                   
194   G4int givenShellId = atomicShell->ShellId();    
195   minGammaEnergy = gammaCut;                      
196   minElectronEnergy = eCut;                       
197   vacancyArray.clear();                           
198                                                   
199   // generation secondaries                       
200   G4DynamicParticle* aParticle=0;                 
201   G4int provShellId = 0;                          
202                                                   
203   //ORIGINAL METHOD BY ALFONSO MANTERO            
204   if (!IsAugerCascadeActive())                    
205     {                                             
206       //----------------------------              
207       G4int counter = 0;                          
208                                                   
209       // limits of the EPDL data                  
210       if (Z>5 && Z<105) {                         
211                                                   
212   // The aim of this loop is to generate more     
213   // from the same ionizing event                 
214   do                                              
215     {                                             
216       if (counter == 0)                           
217         // First call to GenerateParticles(...    
218         // givenShellId is given by the proces    
219         {                                         
220     provShellId = SelectTypeOfTransition(Z, gi    
221                                                   
222     if (provShellId >0)                           
223       {                                           
224         aParticle =                               
225           GenerateFluorescence(Z, givenShellId    
226       }                                           
227     else if (provShellId == -1)                   
228       {                                           
229         aParticle = GenerateAuger(Z, givenShel    
230       }                                           
231         }                                         
232       else                                        
233         // Following calls to GenerateParticle    
234         // newShellId is given by GenerateFluo    
235         {                                         
236     provShellId = SelectTypeOfTransition(Z,new    
237     if (provShellId >0)                           
238       {                                           
239         aParticle = GenerateFluorescence(Z,new    
240       }                                           
241     else if ( provShellId == -1)                  
242       {                                           
243         aParticle = GenerateAuger(Z, newShellI    
244       }                                           
245         }                                         
246       ++counter;                                  
247       if (aParticle != 0)                         
248         {                                         
249     vectorOfParticles->push_back(aParticle);      
250         }                                         
251       else {provShellId = -2;}                    
252     }                                             
253   while (provShellId > -2);                       
254       }                                           
255     } // Auger cascade is not active              
256                                                   
257   //END OF ORIGINAL METHOD BY ALFONSO MANTERO     
258   //----------------------                        
259                                                   
260   // NEW METHOD                                   
261   // Auger cascade by Burkhant Suerfu on March    
262   if (IsAugerCascadeActive())                     
263     {                                             
264       //----------------------                    
265       vacancyArray.push_back(givenShellId);       
266                                                   
267       // let's check that 5<Z<100                 
268       if (Z<6 || Z>104){                          
269   return;                                         
270       }                                           
271                                                   
272       // as long as there is vacancy to be fil    
273       while(!vacancyArray.empty()){               
274   //  prepare to process the last element, and    
275   givenShellId = vacancyArray[0];                 
276   provShellId = SelectTypeOfTransition(Z,given    
277                                                   
278   //G4cout<<"\n------ Atom Transition with Z:     
279   //    <<givenShellId<<" & target:"<<provShel    
280   if(provShellId>0){                              
281     aParticle = GenerateFluorescence(Z,givenSh    
282   }                                               
283   else if(provShellId == -1){                     
284     aParticle = GenerateAuger(Z, givenShellId)    
285   }                                               
286   //  if a particle is created, put it in the     
287   if(aParticle!=0)                                
288     vectorOfParticles->push_back(aParticle);      
289                                                   
290   //  one vacancy has been processed. Erase it    
291   vacancyArray.erase(vacancyArray.begin());       
292       }                                           
293       //----------------------                    
294       //End of Auger cascade by Burkhant Suerf    
295                                                   
296     } // Auger cascade is active                  
297 }                                                 
298                                                   
299 //....oooOO0OOooo........oooOO0OOooo........oo    
300                                                   
301 G4double                                          
302 G4UAtomicDeexcitation::GetShellIonisationCross    
303            const G4ParticleDefinition* pdef,      
304            G4int Z,                               
305            G4AtomicShellEnumerator shellEnum,     
306            G4double kineticEnergy,                
307            const G4Material* mat)                 
308 {                                                 
309   // we must put a control on the shell that a    
310   // some shells should not pass (line "0" or     
311                                                   
312   // check atomic number                          
313   G4double xsec = 0.0;                            
314   if(Z > 93 || Z < 6 ) { return xsec; } //corr    
315   G4int idx = G4int(shellEnum);                   
316   if(idx >= G4AtomicShells::GetNumberOfShells(    
317                                                   
318   if(pdef == theElectron || pdef == thePositro    
319     xsec = ePIXEshellCS->CrossSection(Z,shellE    
320     return xsec;                                  
321   }                                               
322                                                   
323   G4double mass = pdef->GetPDGMass();             
324   G4double escaled = kineticEnergy;               
325   G4double q2 = 0.0;                              
326                                                   
327   // scaling to protons for all particles excl    
328   G4int pdg = pdef->GetPDGEncoding();             
329   if (pdg != 2212 && pdg != 1000020040)           
330     {                                             
331       mass = proton_mass_c2;                      
332       escaled = kineticEnergy*mass/(pdef->GetP    
333                                                   
334       if(mat) {                                   
335   q2 = emcorr->EffectiveChargeSquareRatio(pdef    
336       } else {                                    
337   G4double q = pdef->GetPDGCharge()/eplus;        
338   q2 = q*q;                                       
339       }                                           
340     }                                             
341                                                   
342   if(PIXEshellCS) {                               
343     xsec = PIXEshellCS->CrossSection(Z,shellEn    
344   }                                               
345   if(xsec < 1e-100) {                             
346     xsec = anaPIXEshellCS->CrossSection(Z,shel    
347   }                                               
348                                                   
349   if (q2)  {xsec *= q2;}                          
350                                                   
351   return xsec;                                    
352 }                                                 
353                                                   
354 //....oooOO0OOooo........oooOO0OOooo........oo    
355                                                   
356 void G4UAtomicDeexcitation::SetCutForSecondary    
357 {                                                 
358   minGammaEnergy = cut;                           
359 }                                                 
360                                                   
361 //....oooOO0OOooo........oooOO0OOooo........oo    
362                                                   
363 void G4UAtomicDeexcitation::SetCutForAugerElec    
364 {                                                 
365   minElectronEnergy = cut;                        
366 }                                                 
367                                                   
368 //....oooOO0OOooo........oooOO0OOooo........oo    
369                                                   
370 G4double G4UAtomicDeexcitation::ComputeShellIo    
371         const G4ParticleDefinition* p,            
372         G4int Z,                                  
373         G4AtomicShellEnumerator shell,            
374         G4double kinE,                            
375         const G4Material* mat)                    
376 {                                                 
377   return GetShellIonisationCrossSectionPerAtom    
378 }                                                 
379                                                   
380 //....oooOO0OOooo........oooOO0OOooo........oo    
381                                                   
382 G4int G4UAtomicDeexcitation::SelectTypeOfTrans    
383 {                                                 
384   if (shellId <=0 ) {                             
385     return 0;                                     
386   }                                               
387                                                   
388   G4int provShellId = -1;                         
389   G4int shellNum = 0;                             
390   G4int maxNumOfShells = transitionManager->Nu    
391                                                   
392   const G4FluoTransition* refShell =              
393     transitionManager->ReachableShell(Z,maxNum    
394                                                   
395   // This loop gives shellNum the value of the    
396   // in the vector storing the list of the she    
397   // a radiative transition                       
398   if ( shellId <= refShell->FinalShellId())       
399     {                                             
400       while (shellId != transitionManager->Rea    
401   {                                               
402     if(shellNum ==maxNumOfShells-1)               
403       {                                           
404         break;                                    
405       }                                           
406     shellNum++;                                   
407   }                                               
408       G4int transProb = 0; //AM change 29/6/07    
409                                                   
410       G4double partialProb = G4UniformRand();     
411       G4double partSum = 0;                       
412       const G4FluoTransition* aShell = transit    
413       G4int trSize =  (G4int)(aShell->Transiti    
414                                                   
415       // Loop over the shells wich can provide    
416       // radiative transition towards shellId:    
417       // in every loop the partial sum of the     
418       // is calculated and compared with a ran    
419       // If the partial sum is greater, the sh    
420       // is chosen as the starting shell for a    
421       // and its identity is returned             
422       // Else, terminateded the loop, -1 is re    
423       while(transProb < trSize){                  
424   partSum += aShell->TransitionProbability(tra    
425                                                   
426   if(partialProb <= partSum)                      
427     {                                             
428       provShellId = aShell->OriginatingShellId    
429       break;                                      
430     }                                             
431   ++transProb;                                    
432       }                                           
433       // here provShellId is the right one or     
434       // if -1, the control is passed to the A    
435     }                                             
436   else                                            
437     {                                             
438       provShellId = -1;                           
439     }                                             
440   return provShellId;                             
441 }                                                 
442                                                   
443 //....oooOO0OOooo........oooOO0OOooo........oo    
444                                                   
445 G4DynamicParticle*                                
446 G4UAtomicDeexcitation::GenerateFluorescence(G4    
447               G4int provShellId )                 
448 {                                                 
449   if (shellId <=0 )                               
450     {                                             
451       return nullptr;                             
452     }                                             
453                                                   
454   //isotropic angular distribution for the out    
455   G4double newcosTh = 1.-2.*G4UniformRand();      
456   G4double newsinTh = std::sqrt((1.-newcosTh)*    
457   G4double newPhi = twopi*G4UniformRand();        
458                                                   
459   G4double xDir = newsinTh*std::sin(newPhi);      
460   G4double yDir = newsinTh*std::cos(newPhi);      
461   G4double zDir = newcosTh;                       
462                                                   
463   G4ThreeVector newGammaDirection(xDir,yDir,zD    
464                                                   
465   G4int shellNum = 0;                             
466   G4int maxNumOfShells = transitionManager->Nu    
467                                                   
468   // find the index of the shell named shellId    
469   while (shellId != transitionManager->           
470    ReachableShell(Z,shellNum)->FinalShellId())    
471     {                                             
472       if(shellNum == maxNumOfShells-1)            
473   {                                               
474     break;                                        
475   }                                               
476       ++shellNum;                                 
477     }                                             
478   // number of shell from wich an electron can    
479   G4int transitionSize = (G4int)transitionMana    
480     ReachableShell(Z,shellNum)->OriginatingShe    
481                                                   
482   G4int index = 0;                                
483                                                   
484   // find the index of the shell named provShe    
485   // storing the shells from which shellId can    
486   while (provShellId != transitionManager->       
487    ReachableShell(Z,shellNum)->OriginatingShel    
488     {                                             
489       if(index ==  transitionSize-1)              
490   {                                               
491     break;                                        
492   }                                               
493       ++index;                                    
494     }                                             
495   // energy of the gamma leaving provShellId f    
496   G4double transitionEnergy = transitionManage    
497     ReachableShell(Z,shellNum)->TransitionEner    
498                                                   
499   if (transitionEnergy < minGammaEnergy) retur    
500                                                   
501   // This is the shell where the new vacancy i    
502   // shell where the electron came from           
503   newShellId = transitionManager->                
504     ReachableShell(Z,shellNum)->OriginatingShe    
505                                                   
506   G4DynamicParticle* newPart = new G4DynamicPa    
507                  newGammaDirection,               
508                  transitionEnergy);               
509                                                   
510   //Auger cascade by Burkhant Suerfu on March     
511   if (IsAugerCascadeActive()) vacancyArray.pus    
512                                                   
513   return newPart;                                 
514 }                                                 
515                                                   
516 //....oooOO0OOooo........oooOO0OOooo........oo    
517                                                   
518 G4DynamicParticle* G4UAtomicDeexcitation::Gene    
519 {                                                 
520   if(!IsAugerActive()) {                          
521     //    G4cout << "auger inactive!" << G4end    
522     return nullptr;                               
523   }                                               
524                                                   
525   if (shellId <=0 ) {                             
526     //G4Exception("G4UAtomicDeexcitation::Gene    
527     //    JustWarning, "Energy deposited local    
528     return nullptr;                               
529   }                                               
530                                                   
531   G4int maxNumOfShells = transitionManager->Nu    
532                                                   
533   const G4AugerTransition* refAugerTransition     
534     transitionManager->ReachableAugerShell(Z,m    
535                                                   
536   // This loop gives to shellNum the value of     
537   // in the vector storing the list of the vac    
538   // that can originate a NON-radiative transi    
539   G4int shellNum = 0;                             
540                                                   
541   if ( shellId <= refAugerTransition->FinalShe    
542     // "FinalShellId" is final from the point     
543     // who makes the transition,                  
544     // being the Id of the shell in which ther    
545     {                                             
546       G4int pippo = transitionManager->Reachab    
547       if (shellId != pippo ) {                    
548   do {                                            
549     ++shellNum;                                   
550     if(shellNum == maxNumOfShells)                
551       {                                           
552         // G4cout << "No Auger transition foun    
553         return 0;                                 
554       }                                           
555   }                                               
556   while (shellId != (transitionManager->Reacha    
557       }                                           
558                                                   
559       // Now we have that shellnum is the shel    
560       //      G4cout << " the index of the she    
561       // But we have now to select two shells:    
562       // and another for the auger emission.      
563       G4int transitionLoopShellIndex = 0;         
564       G4double partSum = 0;                       
565       const G4AugerTransition* anAugerTransiti    
566   transitionManager->ReachableAugerShell(Z,she    
567                                                   
568       G4int transitionSize = (G4int)              
569   (anAugerTransition->TransitionOriginatingShe    
570       while (transitionLoopShellIndex < transi    
571                                                   
572         std::vector<G4int>::const_iterator pos    
573     anAugerTransition->TransitionOriginatingSh    
574                                                   
575         G4int transitionLoopShellId = *(pos+tr    
576         G4int numberOfPossibleAuger = (G4int)     
577     (anAugerTransition->AugerTransitionProbabi    
578         G4int augerIndex = 0;                     
579                                                   
580   if (augerIndex < numberOfPossibleAuger) {       
581     do                                            
582       {                                           
583         G4double thisProb = anAugerTransition-    
584                     transitionLoopShellId);       
585         partSum += thisProb;                      
586         augerIndex++;                             
587                                                   
588       } while (augerIndex < numberOfPossibleAu    
589         }                                         
590         ++transitionLoopShellIndex;               
591       }                                           
592                                                   
593       G4double totalVacancyAugerProbability =     
594                                                   
595       //And now we start to select the right a    
596       G4int transitionRandomShellIndex = 0;       
597       G4int transitionRandomShellId = 1;          
598       G4int augerIndex = 0;                       
599       partSum = 0;                                
600       G4double partialProb = G4UniformRand();     
601                                                   
602       G4int numberOfPossibleAuger = 0;            
603       G4bool foundFlag = false;                   
604                                                   
605       while (transitionRandomShellIndex < tran    
606                                                   
607         std::vector<G4int>::const_iterator pos    
608     anAugerTransition->TransitionOriginatingSh    
609                                                   
610         transitionRandomShellId = *(pos+transi    
611                                                   
612   augerIndex = 0;                                 
613   numberOfPossibleAuger = (G4int)(anAugerTrans    
614          AugerTransitionProbabilities(transiti    
615                                                   
616         while (augerIndex < numberOfPossibleAu    
617     G4double thisProb =anAugerTransition->Auge    
618                      transitionRandomShellId);    
619                                                   
620           partSum += thisProb;                    
621                                                   
622           if (partSum >= (partialProb*totalVac    
623       foundFlag = true;                           
624       break;                                      
625     }                                             
626           augerIndex++;                           
627         }                                         
628         if (partSum >= (partialProb*totalVacan    
629         ++transitionRandomShellIndex;             
630       }                                           
631                                                   
632       // Now we have the index of the shell fr    
633       // and the id of the shell, from which t    
634       // If no Transition has been found, 0 is    
635       if (!foundFlag) {                           
636   return nullptr;                                 
637       }                                           
638                                                   
639       // Isotropic angular distribution for th    
640       G4double newcosTh = 1.-2.*G4UniformRand(    
641       G4double newsinTh = std::sqrt(1.-newcosT    
642       G4double newPhi = twopi*G4UniformRand();    
643                                                   
644       G4double xDir = newsinTh*std::sin(newPhi    
645       G4double yDir = newsinTh*std::cos(newPhi    
646       G4double zDir = newcosTh;                   
647                                                   
648       G4ThreeVector newElectronDirection(xDir,    
649                                                   
650       // energy of the auger electron emitted     
651       G4double transitionEnergy =                 
652   anAugerTransition->AugerTransitionEnergy(aug    
653                                                   
654       if (transitionEnergy < minElectronEnergy    
655   return nullptr;                                 
656       }                                           
657                                                   
658       // This is the shell where the new vacan    
659       // shell where the electron came from       
660       newShellId = transitionRandomShellId;       
661                                                   
662       //Auger cascade by Burkhant Suerfu on Ma    
663       if (IsAugerCascadeActive())                 
664   {                                               
665     vacancyArray.push_back(newShellId);           
666     vacancyArray.push_back(anAugerTransition->    
667   }                                               
668                                                   
669       return new G4DynamicParticle(G4Electron:    
670            newElectronDirection,                  
671            transitionEnergy);                     
672     }                                             
673   else                                            
674     {                                             
675       return nullptr;                             
676     }                                             
677 }                                                 
678