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Geant4/processes/electromagnetic/lowenergy/src/G4PenelopeGammaConversionModel.cc

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Differences between /processes/electromagnetic/lowenergy/src/G4PenelopeGammaConversionModel.cc (Version 11.3.0) and /processes/electromagnetic/lowenergy/src/G4PenelopeGammaConversionModel.cc (Version 11.2.1)


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 25 //                                                 25 //
 26 //                                                 26 //
 27 // Author: Luciano Pandola                         27 // Author: Luciano Pandola
 28 //                                                 28 //
 29 // History:                                        29 // History:
 30 // --------                                        30 // --------
 31 // 13 Jan 2010   L Pandola    First implementa     31 // 13 Jan 2010   L Pandola    First implementation (updated to Penelope08)
 32 // 24 May 2011   L Pandola    Renamed (make v2     32 // 24 May 2011   L Pandola    Renamed (make v2008 as default Penelope)
 33 // 18 Sep 2013   L Pandola    Migration to MT      33 // 18 Sep 2013   L Pandola    Migration to MT paradigm. Only master model deals with
 34 //                             data and create     34 //                             data and creates shared tables
 35 //                                                 35 //
 36                                                    36 
 37 #include "G4PenelopeGammaConversionModel.hh"       37 #include "G4PenelopeGammaConversionModel.hh"
 38 #include "G4PhysicalConstants.hh"                  38 #include "G4PhysicalConstants.hh"
 39 #include "G4SystemOfUnits.hh"                      39 #include "G4SystemOfUnits.hh"
 40 #include "G4ParticleDefinition.hh"                 40 #include "G4ParticleDefinition.hh"
 41 #include "G4MaterialCutsCouple.hh"                 41 #include "G4MaterialCutsCouple.hh"
 42 #include "G4ProductionCutsTable.hh"                42 #include "G4ProductionCutsTable.hh"
 43 #include "G4DynamicParticle.hh"                    43 #include "G4DynamicParticle.hh"
 44 #include "G4Element.hh"                            44 #include "G4Element.hh"
 45 #include "G4Gamma.hh"                              45 #include "G4Gamma.hh"
 46 #include "G4Electron.hh"                           46 #include "G4Electron.hh"
 47 #include "G4Positron.hh"                           47 #include "G4Positron.hh"
 48 #include "G4PhysicsFreeVector.hh"                  48 #include "G4PhysicsFreeVector.hh"
 49 #include "G4MaterialCutsCouple.hh"                 49 #include "G4MaterialCutsCouple.hh"
 50 #include "G4AutoLock.hh"                           50 #include "G4AutoLock.hh"
 51 #include "G4Exp.hh"                                51 #include "G4Exp.hh"
 52                                                    52 
 53 //....oooOO0OOooo........oooOO0OOooo........oo     53 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 54 const G4int G4PenelopeGammaConversionModel::fM     54 const G4int G4PenelopeGammaConversionModel::fMaxZ;
 55 G4PhysicsFreeVector* G4PenelopeGammaConversion     55 G4PhysicsFreeVector* G4PenelopeGammaConversionModel::fLogAtomicCrossSection[] = {nullptr};
 56 G4double G4PenelopeGammaConversionModel::fAtom     56 G4double G4PenelopeGammaConversionModel::fAtomicScreeningRadius[] = {0.,  //pad a zero, so to use fAtomicScreeningRadius[Z]
 57                      1.2281e+02,7.3167e+01,6.9     57                      1.2281e+02,7.3167e+01,6.9228e+01,6.7301e+01,
 58                      6.4696e+01,6.1228e+01,5.7     58                      6.4696e+01,6.1228e+01,5.7524e+01,5.4033e+01,
 59                      5.0787e+01,4.7851e+01,4.6     59                      5.0787e+01,4.7851e+01,4.6373e+01,4.5401e+01,
 60                      4.4503e+01,4.3815e+01,4.3     60                      4.4503e+01,4.3815e+01,4.3074e+01,4.2321e+01,
 61                      4.1586e+01,4.0953e+01,4.0     61                      4.1586e+01,4.0953e+01,4.0524e+01,4.0256e+01,
 62                      3.9756e+01,3.9144e+01,3.8     62                      3.9756e+01,3.9144e+01,3.8462e+01,3.7778e+01,
 63                      3.7174e+01,3.6663e+01,3.5     63                      3.7174e+01,3.6663e+01,3.5986e+01,3.5317e+01,
 64                      3.4688e+01,3.4197e+01,3.3     64                      3.4688e+01,3.4197e+01,3.3786e+01,3.3422e+01,
 65                      3.3068e+01,3.2740e+01,3.2     65                      3.3068e+01,3.2740e+01,3.2438e+01,3.2143e+01,
 66                      3.1884e+01,3.1622e+01,3.1     66                      3.1884e+01,3.1622e+01,3.1438e+01,3.1142e+01,
 67                      3.0950e+01,3.0758e+01,3.0     67                      3.0950e+01,3.0758e+01,3.0561e+01,3.0285e+01,
 68                      3.0097e+01,2.9832e+01,2.9     68                      3.0097e+01,2.9832e+01,2.9581e+01,2.9411e+01,
 69                      2.9247e+01,2.9085e+01,2.8     69                      2.9247e+01,2.9085e+01,2.8930e+01,2.8721e+01,
 70                      2.8580e+01,2.8442e+01,2.8     70                      2.8580e+01,2.8442e+01,2.8312e+01,2.8139e+01,
 71                      2.7973e+01,2.7819e+01,2.7     71                      2.7973e+01,2.7819e+01,2.7675e+01,2.7496e+01,
 72                      2.7285e+01,2.7093e+01,2.6     72                      2.7285e+01,2.7093e+01,2.6911e+01,2.6705e+01,
 73                      2.6516e+01,2.6304e+01,2.6     73                      2.6516e+01,2.6304e+01,2.6108e+01,2.5929e+01,
 74                      2.5730e+01,2.5577e+01,2.5     74                      2.5730e+01,2.5577e+01,2.5403e+01,2.5245e+01,
 75                      2.5100e+01,2.4941e+01,2.4     75                      2.5100e+01,2.4941e+01,2.4790e+01,2.4655e+01,
 76                      2.4506e+01,2.4391e+01,2.4     76                      2.4506e+01,2.4391e+01,2.4262e+01,2.4145e+01,
 77                      2.4039e+01,2.3922e+01,2.3     77                      2.4039e+01,2.3922e+01,2.3813e+01,2.3712e+01,
 78                      2.3621e+01,2.3523e+01,2.3     78                      2.3621e+01,2.3523e+01,2.3430e+01,2.3331e+01,
 79                      2.3238e+01,2.3139e+01,2.3     79                      2.3238e+01,2.3139e+01,2.3048e+01,2.2967e+01,
 80                      2.2833e+01,2.2694e+01,2.2     80                      2.2833e+01,2.2694e+01,2.2624e+01,2.2545e+01,
 81                      2.2446e+01,2.2358e+01,2.2     81                      2.2446e+01,2.2358e+01,2.2264e+01};
 82                                                    82 
 83 //....oooOO0OOooo........oooOO0OOooo........oo     83 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 84                                                    84 
 85 G4PenelopeGammaConversionModel::G4PenelopeGamm     85 G4PenelopeGammaConversionModel::G4PenelopeGammaConversionModel(const G4ParticleDefinition* part,
 86                      const G4String& nam)          86                      const G4String& nam)
 87   :G4VEmModel(nam),fParticleChange(nullptr),fP     87   :G4VEmModel(nam),fParticleChange(nullptr),fParticle(nullptr),
 88    fEffectiveCharge(nullptr),fMaterialInvScree     88    fEffectiveCharge(nullptr),fMaterialInvScreeningRadius(nullptr),
 89    fScreeningFunction(nullptr),fIsInitialised(     89    fScreeningFunction(nullptr),fIsInitialised(false),fLocalTable(false)
 90 {                                                  90 {
 91   fIntrinsicLowEnergyLimit = 2.0*electron_mass     91   fIntrinsicLowEnergyLimit = 2.0*electron_mass_c2;
 92   fIntrinsicHighEnergyLimit = 100.0*GeV;           92   fIntrinsicHighEnergyLimit = 100.0*GeV;
 93   fSmallEnergy = 1.1*MeV;                          93   fSmallEnergy = 1.1*MeV;
 94                                                    94 
 95   if (part)                                        95   if (part)
 96     SetParticle(part);                             96     SetParticle(part);
 97                                                    97 
 98   //  SetLowEnergyLimit(fIntrinsicLowEnergyLim     98   //  SetLowEnergyLimit(fIntrinsicLowEnergyLimit);
 99   SetHighEnergyLimit(fIntrinsicHighEnergyLimit     99   SetHighEnergyLimit(fIntrinsicHighEnergyLimit);
100   //                                              100   //
101   fVerboseLevel= 0;                               101   fVerboseLevel= 0;
102   // Verbosity scale:                             102   // Verbosity scale:
103   // 0 = nothing                                  103   // 0 = nothing
104   // 1 = warning for energy non-conservation      104   // 1 = warning for energy non-conservation
105   // 2 = details of energy budget                 105   // 2 = details of energy budget
106   // 3 = calculation of cross sections, file o    106   // 3 = calculation of cross sections, file openings, sampling of atoms
107   // 4 = entering in methods                      107   // 4 = entering in methods
108 }                                                 108 }
109                                                   109 
110 //....oooOO0OOooo........oooOO0OOooo........oo    110 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
111                                                   111 
112 G4PenelopeGammaConversionModel::~G4PenelopeGam    112 G4PenelopeGammaConversionModel::~G4PenelopeGammaConversionModel()
113 {                                                 113 {
114   //Delete shared tables, they exist only in t    114   //Delete shared tables, they exist only in the master model
115   if (IsMaster() || fLocalTable)                  115   if (IsMaster() || fLocalTable)
116     {                                             116     {
117       for(G4int i=0; i<=fMaxZ; ++i)               117       for(G4int i=0; i<=fMaxZ; ++i) 
118   {                                               118   {
119     if(fLogAtomicCrossSection[i]) {               119     if(fLogAtomicCrossSection[i]) { 
120       delete fLogAtomicCrossSection[i];           120       delete fLogAtomicCrossSection[i];
121       fLogAtomicCrossSection[i] = nullptr;        121       fLogAtomicCrossSection[i] = nullptr;
122     }                                             122     }
123   }                                               123   }
124       if (fEffectiveCharge)                       124       if (fEffectiveCharge)
125   delete fEffectiveCharge;                        125   delete fEffectiveCharge;
126       if (fMaterialInvScreeningRadius)            126       if (fMaterialInvScreeningRadius)
127   delete fMaterialInvScreeningRadius;             127   delete fMaterialInvScreeningRadius;
128       if (fScreeningFunction)                     128       if (fScreeningFunction)
129   delete fScreeningFunction;                      129   delete fScreeningFunction;
130     }                                             130     }
131 }                                                 131 }
132                                                   132 
133 //....oooOO0OOooo........oooOO0OOooo........oo    133 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
134                                                   134 
135 void G4PenelopeGammaConversionModel::Initialis    135 void G4PenelopeGammaConversionModel::Initialise(const G4ParticleDefinition* part,
136             const G4DataVector&)                  136             const G4DataVector&)
137 {                                                 137 {
138   if (fVerboseLevel > 3)                          138   if (fVerboseLevel > 3)
139     G4cout << "Calling  G4PenelopeGammaConvers    139     G4cout << "Calling  G4PenelopeGammaConversionModel::Initialise()" << G4endl;
140                                                   140 
141   SetParticle(part);                              141   SetParticle(part);
142                                                   142 
143   //Only the master model creates/fills/destro    143   //Only the master model creates/fills/destroys the tables
144   if (IsMaster() && part == fParticle)            144   if (IsMaster() && part == fParticle)
145     {                                             145     {
146       //delete old material data...               146       //delete old material data...
147       if (fEffectiveCharge)                       147       if (fEffectiveCharge)
148   {                                               148   {
149     delete fEffectiveCharge;                      149     delete fEffectiveCharge;
150     fEffectiveCharge = nullptr;                   150     fEffectiveCharge = nullptr;
151   }                                               151   }
152       if (fMaterialInvScreeningRadius)            152       if (fMaterialInvScreeningRadius)
153   {                                               153   {
154     delete fMaterialInvScreeningRadius;           154     delete fMaterialInvScreeningRadius;
155     fMaterialInvScreeningRadius = nullptr;        155     fMaterialInvScreeningRadius = nullptr;
156   }                                               156   }
157       if (fScreeningFunction)                     157       if (fScreeningFunction)
158   {                                               158   {
159     delete fScreeningFunction;                    159     delete fScreeningFunction;
160     fScreeningFunction = nullptr;                 160     fScreeningFunction = nullptr;
161   }                                               161   }
162       //and create new ones                       162       //and create new ones
163       fEffectiveCharge = new std::map<const G4    163       fEffectiveCharge = new std::map<const G4Material*,G4double>;
164       fMaterialInvScreeningRadius = new std::m    164       fMaterialInvScreeningRadius = new std::map<const G4Material*,G4double>;
165       fScreeningFunction = new std::map<const     165       fScreeningFunction = new std::map<const G4Material*,std::pair<G4double,G4double> >;
166                                                   166 
167       G4ProductionCutsTable* theCoupleTable =     167       G4ProductionCutsTable* theCoupleTable =
168   G4ProductionCutsTable::GetProductionCutsTabl    168   G4ProductionCutsTable::GetProductionCutsTable();
169                                                   169 
170       for (G4int i=0;i<(G4int)theCoupleTable->    170       for (G4int i=0;i<(G4int)theCoupleTable->GetTableSize();++i)
171   {                                               171   {
172     const G4Material* material =                  172     const G4Material* material =
173       theCoupleTable->GetMaterialCutsCouple(i)    173       theCoupleTable->GetMaterialCutsCouple(i)->GetMaterial();
174     const G4ElementVector* theElementVector =     174     const G4ElementVector* theElementVector = material->GetElementVector();
175                                                   175 
176     for (std::size_t j=0;j<material->GetNumber    176     for (std::size_t j=0;j<material->GetNumberOfElements();++j)
177       {                                           177       {
178         G4int iZ = theElementVector->at(j)->Ge    178         G4int iZ = theElementVector->at(j)->GetZasInt();
179         //read data files only in the master      179         //read data files only in the master
180         if (iZ <= fMaxZ &&  !fLogAtomicCrossSe    180         if (iZ <= fMaxZ &&  !fLogAtomicCrossSection[iZ])    
181     ReadDataFile(iZ);                             181     ReadDataFile(iZ);
182       }                                           182       }
183                                                   183 
184     //check if material data are available        184     //check if material data are available
185     if (!fEffectiveCharge->count(material))       185     if (!fEffectiveCharge->count(material))
186       InitializeScreeningFunctions(material);     186       InitializeScreeningFunctions(material);
187   }                                               187   }
188       if (fVerboseLevel > 0) {                    188       if (fVerboseLevel > 0) {
189   G4cout << "Penelope Gamma Conversion model v    189   G4cout << "Penelope Gamma Conversion model v2008 is initialized " << G4endl
190          << "Energy range: "                      190          << "Energy range: "
191          << LowEnergyLimit() / MeV << " MeV -     191          << LowEnergyLimit() / MeV << " MeV - "
192          << HighEnergyLimit() / GeV << " GeV"     192          << HighEnergyLimit() / GeV << " GeV"
193          << G4endl;                               193          << G4endl;
194       }                                           194       }
195     }                                             195     }
196   if(fIsInitialised) return;                      196   if(fIsInitialised) return;
197   fParticleChange = GetParticleChangeForGamma(    197   fParticleChange = GetParticleChangeForGamma();
198   fIsInitialised = true;                          198   fIsInitialised = true;
199 }                                                 199 }
200                                                   200 
201 //....oooOO0OOooo........oooOO0OOooo........oo    201 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
202                                                   202 
203 void G4PenelopeGammaConversionModel::Initialis    203 void G4PenelopeGammaConversionModel::InitialiseLocal(const G4ParticleDefinition* part,
204                  G4VEmModel *masterModel)         204                  G4VEmModel *masterModel)
205 {                                                 205 {
206   if (fVerboseLevel > 3)                          206   if (fVerboseLevel > 3)
207     G4cout << "Calling  G4PenelopeGammaConvers    207     G4cout << "Calling  G4PenelopeGammaConversionModel::InitialiseLocal()" << G4endl;
208   //                                              208   //
209   //Check that particle matches: one might hav    209   //Check that particle matches: one might have multiple master models (e.g.
210   //for e+ and e-).                               210   //for e+ and e-).
211   //                                              211   //
212   if (part == fParticle)                          212   if (part == fParticle)
213     {                                             213     {
214       //Get the const table pointers from the     214       //Get the const table pointers from the master to the workers
215       const G4PenelopeGammaConversionModel* th    215       const G4PenelopeGammaConversionModel* theModel =
216   static_cast<G4PenelopeGammaConversionModel*>    216   static_cast<G4PenelopeGammaConversionModel*> (masterModel);
217                                                   217 
218       //Copy pointers to the data tables          218       //Copy pointers to the data tables
219       fEffectiveCharge = theModel->fEffectiveC    219       fEffectiveCharge = theModel->fEffectiveCharge;
220       fMaterialInvScreeningRadius = theModel->    220       fMaterialInvScreeningRadius = theModel->fMaterialInvScreeningRadius;
221       fScreeningFunction = theModel->fScreenin    221       fScreeningFunction = theModel->fScreeningFunction;      
222       for(G4int i=0; i<=fMaxZ; ++i)               222       for(G4int i=0; i<=fMaxZ; ++i) 
223   fLogAtomicCrossSection[i] = theModel->fLogAt    223   fLogAtomicCrossSection[i] = theModel->fLogAtomicCrossSection[i];
224                                                   224 
225       //Same verbosity for all workers, as the    225       //Same verbosity for all workers, as the master
226       fVerboseLevel = theModel->fVerboseLevel;    226       fVerboseLevel = theModel->fVerboseLevel;
227     }                                             227     }
228                                                   228 
229   return;                                         229   return;
230 }                                                 230 }
231                                                   231 
232 //....oooOO0OOooo........oooOO0OOooo........oo    232 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
233 namespace { G4Mutex  PenelopeGammaConversionMo    233 namespace { G4Mutex  PenelopeGammaConversionModelMutex = G4MUTEX_INITIALIZER; }
234                                                   234 
235 G4double G4PenelopeGammaConversionModel::Compu    235 G4double G4PenelopeGammaConversionModel::ComputeCrossSectionPerAtom(
236                     const G4ParticleDefinition    236                     const G4ParticleDefinition*,
237                     G4double energy,              237                     G4double energy,
238                     G4double Z, G4double,         238                     G4double Z, G4double,
239                     G4double, G4double)           239                     G4double, G4double)
240 {                                                 240 {
241   //                                              241   //
242   // Penelope model v2008.                        242   // Penelope model v2008.
243   // Cross section (including triplet producti    243   // Cross section (including triplet production) read from database and managed
244   // through the G4CrossSectionHandler utility    244   // through the G4CrossSectionHandler utility. Cross section data are from
245   // M.J. Berger and J.H. Hubbel (XCOM), Repor    245   // M.J. Berger and J.H. Hubbel (XCOM), Report NBSIR 887-3598
246   //                                              246   //
247                                                   247 
248   if (energy < fIntrinsicLowEnergyLimit)          248   if (energy < fIntrinsicLowEnergyLimit)
249     return 0;                                     249     return 0;
250                                                   250 
251   G4int iZ = G4int(Z);                            251   G4int iZ = G4int(Z);
252                                                   252 
253   if (!fLogAtomicCrossSection[iZ])                253   if (!fLogAtomicCrossSection[iZ])
254      {                                            254      {
255        //If we are here, it means that Initial    255        //If we are here, it means that Initialize() was inkoved, but the MaterialTable was
256        //not filled up. This can happen in a U    256        //not filled up. This can happen in a UnitTest or via G4EmCalculator
257        if (fVerboseLevel > 0)                     257        if (fVerboseLevel > 0)
258    {                                              258    {
259      //Issue a G4Exception (warning) only in v    259      //Issue a G4Exception (warning) only in verbose mode
260      G4ExceptionDescription ed;                   260      G4ExceptionDescription ed;
261      ed << "Unable to retrieve the cross secti    261      ed << "Unable to retrieve the cross section table for Z=" << iZ << G4endl;
262      ed << "This can happen only in Unit Tests    262      ed << "This can happen only in Unit Tests or via G4EmCalculator" << G4endl;
263      G4Exception("G4PenelopeGammaConversionMod    263      G4Exception("G4PenelopeGammaConversionModel::ComputeCrossSectionPerAtom()",
264            "em2018",JustWarning,ed);              264            "em2018",JustWarning,ed);
265    }                                              265    }
266        //protect file reading via autolock        266        //protect file reading via autolock
267        G4AutoLock lock(&PenelopeGammaConversio    267        G4AutoLock lock(&PenelopeGammaConversionModelMutex);
268        ReadDataFile(iZ);                          268        ReadDataFile(iZ);
269        lock.unlock();                             269        lock.unlock();
270        fLocalTable = true;                        270        fLocalTable = true;
271      }                                            271      }
272   G4double cs = 0;                                272   G4double cs = 0;
273   G4double logene = G4Log(energy);                273   G4double logene = G4Log(energy);
274   G4PhysicsFreeVector* theVec = fLogAtomicCros    274   G4PhysicsFreeVector* theVec = fLogAtomicCrossSection[iZ];
275   G4double logXS = theVec->Value(logene);         275   G4double logXS = theVec->Value(logene);
276   cs = G4Exp(logXS);                              276   cs = G4Exp(logXS);
277                                                   277 
278   if (fVerboseLevel > 2)                          278   if (fVerboseLevel > 2)
279     G4cout << "Gamma conversion cross section     279     G4cout << "Gamma conversion cross section at " << energy/MeV << " MeV for Z=" << Z <<
280       " = " << cs/barn << " barn" << G4endl;      280       " = " << cs/barn << " barn" << G4endl;
281   return cs;                                      281   return cs;
282 }                                                 282 }
283                                                   283 
284 //....oooOO0OOooo........oooOO0OOooo........oo    284 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
285                                                   285 
286 void                                              286 void
287 G4PenelopeGammaConversionModel::SampleSecondar    287 G4PenelopeGammaConversionModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
288               const G4MaterialCutsCouple* coup    288               const G4MaterialCutsCouple* couple,
289               const G4DynamicParticle* aDynami    289               const G4DynamicParticle* aDynamicGamma,
290               G4double,                           290               G4double,
291               G4double)                           291               G4double)
292 {                                                 292 {
293   //                                              293   //
294   // Penelope model v2008.                        294   // Penelope model v2008.
295   // Final state is sampled according to the B    295   // Final state is sampled according to the Bethe-Heitler model with Coulomb
296   // corrections, according to the semi-empiri    296   // corrections, according to the semi-empirical model of
297   //  J. Baro' et al., Radiat. Phys. Chem. 44     297   //  J. Baro' et al., Radiat. Phys. Chem. 44 (1994) 531.
298   //                                              298   //
299   // The model uses the high energy Coulomb co    299   // The model uses the high energy Coulomb correction from
300   //  H. Davies et al., Phys. Rev. 93 (1954) 7    300   //  H. Davies et al., Phys. Rev. 93 (1954) 788
301   // and atomic screening radii tabulated from    301   // and atomic screening radii tabulated from
302   //  J.H. Hubbel et al., J. Phys. Chem. Ref.     302   //  J.H. Hubbel et al., J. Phys. Chem. Ref. Data 9 (1980) 1023
303   // for Z= 1 to 92.                              303   // for Z= 1 to 92.
304   //                                              304   //
305   if (fVerboseLevel > 3)                          305   if (fVerboseLevel > 3)
306     G4cout << "Calling SamplingSecondaries() o    306     G4cout << "Calling SamplingSecondaries() of G4PenelopeGammaConversionModel" << G4endl;
307                                                   307 
308   G4double photonEnergy = aDynamicGamma->GetKi    308   G4double photonEnergy = aDynamicGamma->GetKineticEnergy();
309                                                   309 
310   // Always kill primary                          310   // Always kill primary
311   fParticleChange->ProposeTrackStatus(fStopAnd    311   fParticleChange->ProposeTrackStatus(fStopAndKill);
312   fParticleChange->SetProposedKineticEnergy(0.    312   fParticleChange->SetProposedKineticEnergy(0.);
313                                                   313 
314   if (photonEnergy <= fIntrinsicLowEnergyLimit    314   if (photonEnergy <= fIntrinsicLowEnergyLimit)
315     {                                             315     {
316       fParticleChange->ProposeLocalEnergyDepos    316       fParticleChange->ProposeLocalEnergyDeposit(photonEnergy);
317       return ;                                    317       return ;
318     }                                             318     }
319                                                   319 
320   G4ParticleMomentum photonDirection = aDynami    320   G4ParticleMomentum photonDirection = aDynamicGamma->GetMomentumDirection();
321   const G4Material* mat = couple->GetMaterial(    321   const G4Material* mat = couple->GetMaterial();
322                                                   322 
323   //Either Initialize() was not called, or we     323   //Either Initialize() was not called, or we are in a slave and InitializeLocal() was
324   //not invoked                                   324   //not invoked
325   if (!fEffectiveCharge)                          325   if (!fEffectiveCharge)
326     {                                             326     {
327       //create a **thread-local** version of t    327       //create a **thread-local** version of the table. Used only for G4EmCalculator and
328       //Unit Tests                                328       //Unit Tests
329       fLocalTable = true;                         329       fLocalTable = true;
330       fEffectiveCharge = new std::map<const G4    330       fEffectiveCharge = new std::map<const G4Material*,G4double>;
331       fMaterialInvScreeningRadius = new std::m    331       fMaterialInvScreeningRadius = new std::map<const G4Material*,G4double>;
332       fScreeningFunction = new std::map<const     332       fScreeningFunction = new std::map<const G4Material*,std::pair<G4double,G4double> >;
333     }                                             333     }
334                                                   334 
335   if (!fEffectiveCharge->count(mat))              335   if (!fEffectiveCharge->count(mat))
336     {                                             336     {
337       //If we are here, it means that Initiali    337       //If we are here, it means that Initialize() was inkoved, but the MaterialTable was
338       //not filled up. This can happen in a Un    338       //not filled up. This can happen in a UnitTest or via G4EmCalculator
339       if (fVerboseLevel > 0)                      339       if (fVerboseLevel > 0)
340   {                                               340   {
341     //Issue a G4Exception (warning) only in ve    341     //Issue a G4Exception (warning) only in verbose mode
342     G4ExceptionDescription ed;                    342     G4ExceptionDescription ed;
343     ed << "Unable to allocate the EffectiveCha    343     ed << "Unable to allocate the EffectiveCharge data for " <<
344       mat->GetName() << G4endl;                   344       mat->GetName() << G4endl;
345     ed << "This can happen only in Unit Tests"    345     ed << "This can happen only in Unit Tests" << G4endl;
346     G4Exception("G4PenelopeGammaConversionMode    346     G4Exception("G4PenelopeGammaConversionModel::SampleSecondaries()",
347           "em2019",JustWarning,ed);               347           "em2019",JustWarning,ed);
348   }                                               348   }
349       //protect file reading via autolock         349       //protect file reading via autolock
350       G4AutoLock lock(&PenelopeGammaConversion    350       G4AutoLock lock(&PenelopeGammaConversionModelMutex);
351       InitializeScreeningFunctions(mat);          351       InitializeScreeningFunctions(mat);
352       lock.unlock();                              352       lock.unlock();
353     }                                             353     }
354                                                   354 
355   // eps is the fraction of the photon energy     355   // eps is the fraction of the photon energy assigned to e- (including rest mass)
356   G4double eps = 0;                               356   G4double eps = 0;
357   G4double eki = electron_mass_c2/photonEnergy    357   G4double eki = electron_mass_c2/photonEnergy;
358                                                   358 
359   //Do it fast for photon energy < 1.1 MeV (cl    359   //Do it fast for photon energy < 1.1 MeV (close to threshold)
360   if (photonEnergy < fSmallEnergy)                360   if (photonEnergy < fSmallEnergy)
361     eps = eki + (1.0-2.0*eki)*G4UniformRand();    361     eps = eki + (1.0-2.0*eki)*G4UniformRand();
362   else                                            362   else
363     {                                             363     {
364       //Complete calculation                      364       //Complete calculation
365       G4double effC = fEffectiveCharge->find(m    365       G4double effC = fEffectiveCharge->find(mat)->second;
366       G4double alz = effC*fine_structure_const    366       G4double alz = effC*fine_structure_const;
367       G4double T = std::sqrt(2.0*eki);            367       G4double T = std::sqrt(2.0*eki);
368       G4double F00=(-1.774-1.210e1*alz+1.118e1    368       G4double F00=(-1.774-1.210e1*alz+1.118e1*alz*alz)*T
369          +(8.523+7.326e1*alz-4.441e1*alz*alz)*    369          +(8.523+7.326e1*alz-4.441e1*alz*alz)*T*T
370          -(1.352e1+1.211e2*alz-9.641e1*alz*alz    370          -(1.352e1+1.211e2*alz-9.641e1*alz*alz)*T*T*T
371   +(8.946+6.205e1*alz-6.341e1*alz*alz)*T*T*T*T    371   +(8.946+6.205e1*alz-6.341e1*alz*alz)*T*T*T*T;
372                                                   372 
373       G4double F0b = fScreeningFunction->find(    373       G4double F0b = fScreeningFunction->find(mat)->second.second;
374       G4double g0 = F0b + F00;                    374       G4double g0 = F0b + F00;
375       G4double invRad = fMaterialInvScreeningR    375       G4double invRad = fMaterialInvScreeningRadius->find(mat)->second;
376       G4double bmin = 4.0*eki/invRad;             376       G4double bmin = 4.0*eki/invRad;
377       std::pair<G4double,G4double> scree =  Ge    377       std::pair<G4double,G4double> scree =  GetScreeningFunctions(bmin);
378       G4double g1 = scree.first;                  378       G4double g1 = scree.first;
379       G4double g2 = scree.second;                 379       G4double g2 = scree.second;
380       G4double g1min = g1+g0;                     380       G4double g1min = g1+g0;
381       G4double g2min = g2+g0;                     381       G4double g2min = g2+g0;
382       G4double xr = 0.5-eki;                      382       G4double xr = 0.5-eki;
383       G4double a1 = 2.*g1min*xr*xr/3.;            383       G4double a1 = 2.*g1min*xr*xr/3.;
384       G4double p1 = a1/(a1+g2min);                384       G4double p1 = a1/(a1+g2min);
385                                                   385 
386       G4bool loopAgain = false;                   386       G4bool loopAgain = false;
387       //Random sampling of eps                    387       //Random sampling of eps
388       do{                                         388       do{
389   loopAgain = false;                              389   loopAgain = false;
390   if (G4UniformRand() <= p1)                      390   if (G4UniformRand() <= p1)
391     {                                             391     {
392       G4double  ru2m1 = 2.0*G4UniformRand()-1.    392       G4double  ru2m1 = 2.0*G4UniformRand()-1.0;
393       if (ru2m1 < 0)                              393       if (ru2m1 < 0)
394         eps = 0.5-xr*std::pow(std::abs(ru2m1),    394         eps = 0.5-xr*std::pow(std::abs(ru2m1),1./3.);
395       else                                        395       else
396         eps = 0.5+xr*std::pow(ru2m1,1./3.);       396         eps = 0.5+xr*std::pow(ru2m1,1./3.);
397       G4double B = eki/(invRad*eps*(1.0-eps));    397       G4double B = eki/(invRad*eps*(1.0-eps));
398       scree =  GetScreeningFunctions(B);          398       scree =  GetScreeningFunctions(B);
399       g1 = scree.first;                           399       g1 = scree.first;
400       g1 = std::max(g1+g0,0.);                    400       g1 = std::max(g1+g0,0.);
401       if (G4UniformRand()*g1min > g1)             401       if (G4UniformRand()*g1min > g1)
402         loopAgain = true;                         402         loopAgain = true;
403     }                                             403     }
404   else                                            404   else
405     {                                             405     {
406       eps = eki+2.0*xr*G4UniformRand();           406       eps = eki+2.0*xr*G4UniformRand();
407       G4double B = eki/(invRad*eps*(1.0-eps));    407       G4double B = eki/(invRad*eps*(1.0-eps));
408       scree =  GetScreeningFunctions(B);          408       scree =  GetScreeningFunctions(B);
409       g2 = scree.second;                          409       g2 = scree.second;
410       g2 = std::max(g2+g0,0.);                    410       g2 = std::max(g2+g0,0.);
411       if (G4UniformRand()*g2min > g2)             411       if (G4UniformRand()*g2min > g2)
412         loopAgain = true;                         412         loopAgain = true;
413     }                                             413     }
414       }while(loopAgain);                          414       }while(loopAgain);
415     }                                             415     }
416   if (fVerboseLevel > 4)                          416   if (fVerboseLevel > 4)
417     G4cout << "Sampled eps = " << eps << G4end    417     G4cout << "Sampled eps = " << eps << G4endl;
418                                                   418 
419   G4double electronTotEnergy = eps*photonEnerg    419   G4double electronTotEnergy = eps*photonEnergy;
420   G4double positronTotEnergy = (1.0-eps)*photo    420   G4double positronTotEnergy = (1.0-eps)*photonEnergy;
421                                                   421 
422   // Scattered electron (positron) angles. ( Z    422   // Scattered electron (positron) angles. ( Z - axis along the parent photon)
423                                                   423 
424   //electron kinematics                           424   //electron kinematics
425   G4double electronKineEnergy = std::max(0.,el    425   G4double electronKineEnergy = std::max(0.,electronTotEnergy - electron_mass_c2) ;
426   G4double costheta_el = G4UniformRand()*2.0-1    426   G4double costheta_el = G4UniformRand()*2.0-1.0;
427   G4double kk = std::sqrt(electronKineEnergy*(    427   G4double kk = std::sqrt(electronKineEnergy*(electronKineEnergy+2.*electron_mass_c2));
428   costheta_el = (costheta_el*electronTotEnergy    428   costheta_el = (costheta_el*electronTotEnergy+kk)/(electronTotEnergy+costheta_el*kk);
429   G4double phi_el  = twopi * G4UniformRand() ;    429   G4double phi_el  = twopi * G4UniformRand() ;
430   G4double dirX_el = std::sqrt(1.-costheta_el*    430   G4double dirX_el = std::sqrt(1.-costheta_el*costheta_el) * std::cos(phi_el);
431   G4double dirY_el = std::sqrt(1.-costheta_el*    431   G4double dirY_el = std::sqrt(1.-costheta_el*costheta_el) * std::sin(phi_el);
432   G4double dirZ_el = costheta_el;                 432   G4double dirZ_el = costheta_el;
433                                                   433 
434   //positron kinematics                           434   //positron kinematics
435   G4double positronKineEnergy = std::max(0.,po    435   G4double positronKineEnergy = std::max(0.,positronTotEnergy - electron_mass_c2) ;
436   G4double costheta_po = G4UniformRand()*2.0-1    436   G4double costheta_po = G4UniformRand()*2.0-1.0;
437   kk = std::sqrt(positronKineEnergy*(positronK    437   kk = std::sqrt(positronKineEnergy*(positronKineEnergy+2.*electron_mass_c2));
438   costheta_po = (costheta_po*positronTotEnergy    438   costheta_po = (costheta_po*positronTotEnergy+kk)/(positronTotEnergy+costheta_po*kk);
439   G4double phi_po  = twopi * G4UniformRand() ;    439   G4double phi_po  = twopi * G4UniformRand() ;
440   G4double dirX_po = std::sqrt(1.-costheta_po*    440   G4double dirX_po = std::sqrt(1.-costheta_po*costheta_po) * std::cos(phi_po);
441   G4double dirY_po = std::sqrt(1.-costheta_po*    441   G4double dirY_po = std::sqrt(1.-costheta_po*costheta_po) * std::sin(phi_po);
442   G4double dirZ_po = costheta_po;                 442   G4double dirZ_po = costheta_po;
443                                                   443 
444   // Kinematics of the created pair:              444   // Kinematics of the created pair:
445   // the electron and positron are assumed to     445   // the electron and positron are assumed to have a symetric angular
446   // distribution with respect to the Z axis a    446   // distribution with respect to the Z axis along the parent photon
447   G4double localEnergyDeposit = 0. ;              447   G4double localEnergyDeposit = 0. ;
448                                                   448 
449   if (electronKineEnergy > 0.0)                   449   if (electronKineEnergy > 0.0)
450     {                                             450     {
451       G4ThreeVector electronDirection ( dirX_e    451       G4ThreeVector electronDirection ( dirX_el, dirY_el, dirZ_el);
452       electronDirection.rotateUz(photonDirecti    452       electronDirection.rotateUz(photonDirection);
453       G4DynamicParticle* electron = new G4Dyna    453       G4DynamicParticle* electron = new G4DynamicParticle (G4Electron::Electron(),
454                  electronDirection,               454                  electronDirection,
455                  electronKineEnergy);             455                  electronKineEnergy);
456       fvect->push_back(electron);                 456       fvect->push_back(electron);
457     }                                             457     }
458   else                                            458   else
459     {                                             459     {
460       localEnergyDeposit += electronKineEnergy    460       localEnergyDeposit += electronKineEnergy;
461       electronKineEnergy = 0;                     461       electronKineEnergy = 0;
462     }                                             462     }
463                                                   463 
464   //Generate the positron. Real particle in an    464   //Generate the positron. Real particle in any case, because it will annihilate. If below
465   //threshold, produce it at rest                 465   //threshold, produce it at rest
466   if (positronKineEnergy < 0.0)                   466   if (positronKineEnergy < 0.0)
467     {                                             467     {
468       localEnergyDeposit += positronKineEnergy    468       localEnergyDeposit += positronKineEnergy;
469       positronKineEnergy = 0; //produce it at     469       positronKineEnergy = 0; //produce it at rest
470     }                                             470     }
471   G4ThreeVector positronDirection(dirX_po,dirY    471   G4ThreeVector positronDirection(dirX_po,dirY_po,dirZ_po);
472   positronDirection.rotateUz(photonDirection);    472   positronDirection.rotateUz(photonDirection);
473   G4DynamicParticle* positron = new G4DynamicP    473   G4DynamicParticle* positron = new G4DynamicParticle(G4Positron::Positron(),
474                   positronDirection, positronK    474                   positronDirection, positronKineEnergy);
475   fvect->push_back(positron);                     475   fvect->push_back(positron);
476                                                   476 
477   //Add rest of energy to the local energy dep    477   //Add rest of energy to the local energy deposit
478   fParticleChange->ProposeLocalEnergyDeposit(l    478   fParticleChange->ProposeLocalEnergyDeposit(localEnergyDeposit);
479                                                   479 
480   if (fVerboseLevel > 1)                          480   if (fVerboseLevel > 1)
481     {                                             481     {
482       G4cout << "-----------------------------    482       G4cout << "-----------------------------------------------------------" << G4endl;
483       G4cout << "Energy balance from G4Penelop    483       G4cout << "Energy balance from G4PenelopeGammaConversion" << G4endl;
484       G4cout << "Incoming photon energy: " <<     484       G4cout << "Incoming photon energy: " << photonEnergy/keV << " keV" << G4endl;
485       G4cout << "-----------------------------    485       G4cout << "-----------------------------------------------------------" << G4endl;
486       if (electronKineEnergy)                     486       if (electronKineEnergy)
487   G4cout << "Electron (explicitly produced) "     487   G4cout << "Electron (explicitly produced) " << electronKineEnergy/keV << " keV"
488          << G4endl;                               488          << G4endl;
489       if (positronKineEnergy)                     489       if (positronKineEnergy)
490   G4cout << "Positron (not at rest) " << posit    490   G4cout << "Positron (not at rest) " << positronKineEnergy/keV << " keV" << G4endl;
491       G4cout << "Rest masses of e+/- " << 2.0*    491       G4cout << "Rest masses of e+/- " << 2.0*electron_mass_c2/keV << " keV" << G4endl;
492       if (localEnergyDeposit)                     492       if (localEnergyDeposit)
493   G4cout << "Local energy deposit " << localEn    493   G4cout << "Local energy deposit " << localEnergyDeposit/keV << " keV" << G4endl;
494       G4cout << "Total final state: " << (elec    494       G4cout << "Total final state: " << (electronKineEnergy+positronKineEnergy+
495             localEnergyDeposit+2.0*electron_ma    495             localEnergyDeposit+2.0*electron_mass_c2)/keV <<
496         " keV" << G4endl;                         496         " keV" << G4endl;
497       G4cout << "-----------------------------    497       G4cout << "-----------------------------------------------------------" << G4endl;
498     }                                             498     }
499  if (fVerboseLevel > 0)                           499  if (fVerboseLevel > 0)
500     {                                             500     {
501       G4double energyDiff = std::fabs(electron    501       G4double energyDiff = std::fabs(electronKineEnergy+positronKineEnergy+
502               localEnergyDeposit+2.0*electron_    502               localEnergyDeposit+2.0*electron_mass_c2-photonEnergy);
503       if (energyDiff > 0.05*keV)                  503       if (energyDiff > 0.05*keV)
504   G4cout << "Warning from G4PenelopeGammaConve    504   G4cout << "Warning from G4PenelopeGammaConversion: problem with energy conservation: "
505          << (electronKineEnergy+positronKineEn    505          << (electronKineEnergy+positronKineEnergy+
506        localEnergyDeposit+2.0*electron_mass_c2    506        localEnergyDeposit+2.0*electron_mass_c2)/keV
507          << " keV (final) vs. " << photonEnerg    507          << " keV (final) vs. " << photonEnergy/keV << " keV (initial)" << G4endl;
508     }                                             508     }
509 }                                                 509 }
510                                                   510 
511 //....oooOO0OOooo........oooOO0OOooo........oo    511 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
512                                                   512 
513 void G4PenelopeGammaConversionModel::ReadDataF    513 void G4PenelopeGammaConversionModel::ReadDataFile(const G4int Z)
514 {                                                 514 {
515   if (!IsMaster())                                515   if (!IsMaster())
516       //Should not be here!                       516       //Should not be here!
517     G4Exception("G4PenelopeGammaConversionMode    517     G4Exception("G4PenelopeGammaConversionModel::ReadDataFile()",
518     "em0100",FatalException,"Worker thread in     518     "em0100",FatalException,"Worker thread in this method");
519                                                   519 
520   if (fVerboseLevel > 2)                          520   if (fVerboseLevel > 2)
521     {                                             521     {
522       G4cout << "G4PenelopeGammaConversionMode    522       G4cout << "G4PenelopeGammaConversionModel::ReadDataFile()" << G4endl;
523       G4cout << "Going to read Gamma Conversio    523       G4cout << "Going to read Gamma Conversion data files for Z=" << Z << G4endl;
524     }                                             524     }
525                                                   525 
526     const char* path = G4FindDataDir("G4LEDATA    526     const char* path = G4FindDataDir("G4LEDATA");
527     if(!path)                                     527     if(!path)
528     {                                             528     {
529       G4String excep =                            529       G4String excep =
530   "G4PenelopeGammaConversionModel - G4LEDATA e    530   "G4PenelopeGammaConversionModel - G4LEDATA environment variable not set!";
531       G4Exception("G4PenelopeGammaConversionMo    531       G4Exception("G4PenelopeGammaConversionModel::ReadDataFile()",
532       "em0006",FatalException,excep);             532       "em0006",FatalException,excep);
533       return;                                     533       return;
534     }                                             534     }
535                                                   535 
536   /*                                              536   /*
537     Read the cross section file                   537     Read the cross section file
538   */                                              538   */
539   std::ostringstream ost;                         539   std::ostringstream ost;
540   if (Z>9)                                        540   if (Z>9)
541     ost << path << "/penelope/pairproduction/p    541     ost << path << "/penelope/pairproduction/pdgpp" << Z << ".p08";
542   else                                            542   else
543     ost << path << "/penelope/pairproduction/p    543     ost << path << "/penelope/pairproduction/pdgpp0" << Z << ".p08";
544   std::ifstream file(ost.str().c_str());          544   std::ifstream file(ost.str().c_str());
545   if (!file.is_open())                            545   if (!file.is_open())
546     {                                             546     {
547       G4String excep = "G4PenelopeGammaConvers    547       G4String excep = "G4PenelopeGammaConversionModel - data file " +
548   G4String(ost.str()) + " not found!";            548   G4String(ost.str()) + " not found!";
549       G4Exception("G4PenelopeGammaConversionMo    549       G4Exception("G4PenelopeGammaConversionModel::ReadDataFile()",
550       "em0003",FatalException,excep);             550       "em0003",FatalException,excep);
551     }                                             551     }
552                                                   552 
553   //I have to know in advance how many points     553   //I have to know in advance how many points are in the data list
554   //to initialize the G4PhysicsFreeVector()       554   //to initialize the G4PhysicsFreeVector()
555   std::size_t ndata=0;                            555   std::size_t ndata=0;
556   G4String line;                                  556   G4String line;
557   while( getline(file, line) )                    557   while( getline(file, line) )
558     ndata++;                                      558     ndata++;
559   ndata -= 1; //remove one header line            559   ndata -= 1; //remove one header line
560                                                   560 
561   file.clear();                                   561   file.clear();
562   file.close();                                   562   file.close();
563   file.open(ost.str().c_str());                   563   file.open(ost.str().c_str());
564   G4int readZ =0;                                 564   G4int readZ =0;
565   file >> readZ;                                  565   file >> readZ;
566                                                   566 
567   if (fVerboseLevel > 3)                          567   if (fVerboseLevel > 3)
568     G4cout << "Element Z=" << Z << G4endl;        568     G4cout << "Element Z=" << Z << G4endl;
569                                                   569 
570   //check the right file is opened.               570   //check the right file is opened.
571   if (readZ != Z)                                 571   if (readZ != Z)
572     {                                             572     {
573       G4ExceptionDescription ed;                  573       G4ExceptionDescription ed;
574       ed << "Corrupted data file for Z=" << Z     574       ed << "Corrupted data file for Z=" << Z << G4endl;
575       G4Exception("G4PenelopeGammaConversionMo    575       G4Exception("G4PenelopeGammaConversionModel::ReadDataFile()",
576       "em0005",FatalException,ed);                576       "em0005",FatalException,ed);
577     }                                             577     }
578                                                   578 
579   fLogAtomicCrossSection[Z] = new G4PhysicsFre    579   fLogAtomicCrossSection[Z] = new G4PhysicsFreeVector(ndata);
580   G4double ene=0,xs=0;                            580   G4double ene=0,xs=0;
581   for (std::size_t i=0;i<ndata;++i)               581   for (std::size_t i=0;i<ndata;++i)
582     {                                             582     {
583       file >> ene >> xs;                          583       file >> ene >> xs;
584       //dimensional quantities                    584       //dimensional quantities
585       ene *= eV;                                  585       ene *= eV;
586       xs *= barn;                                 586       xs *= barn;
587       if (xs < 1e-40*cm2) //protection against    587       if (xs < 1e-40*cm2) //protection against log(0)
588   xs = 1e-40*cm2;                                 588   xs = 1e-40*cm2;
589       fLogAtomicCrossSection[Z]->PutValue(i,G4    589       fLogAtomicCrossSection[Z]->PutValue(i,G4Log(ene),G4Log(xs));
590     }                                             590     }
591   file.close();                                   591   file.close();
592                                                   592 
593   return;                                         593   return;
594 }                                                 594 }
595                                                   595 
596 //....oooOO0OOooo........oooOO0OOooo........oo    596 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
597                                                   597 
598 void G4PenelopeGammaConversionModel::Initializ    598 void G4PenelopeGammaConversionModel::InitializeScreeningFunctions(const G4Material* material)
599 {                                                 599 {
600   // This is subroutine GPPa0 of Penelope         600   // This is subroutine GPPa0 of Penelope
601   //                                              601   //
602   // 1) calculate the effective Z for the purp    602   // 1) calculate the effective Z for the purpose
603   //                                              603   //
604   G4double zeff = 0;                              604   G4double zeff = 0;
605   G4int intZ = 0;                                 605   G4int intZ = 0;
606   G4int nElements = (G4int)material->GetNumber    606   G4int nElements = (G4int)material->GetNumberOfElements();
607   const G4ElementVector* elementVector = mater    607   const G4ElementVector* elementVector = material->GetElementVector();
608                                                   608 
609   //avoid calculations if only one building el    609   //avoid calculations if only one building element!
610   if (nElements == 1)                             610   if (nElements == 1)
611     {                                             611     {
612       zeff = (*elementVector)[0]->GetZ();         612       zeff = (*elementVector)[0]->GetZ();
613       intZ = (G4int) zeff;                        613       intZ = (G4int) zeff;
614     }                                             614     }
615   else // many elements...let's do the calcula    615   else // many elements...let's do the calculation
616     {                                             616     {
617       const G4double* fractionVector = materia    617       const G4double* fractionVector = material->GetVecNbOfAtomsPerVolume();
618                                                   618 
619       G4double atot = 0;                          619       G4double atot = 0;
620       for (G4int i=0;i<nElements;i++)             620       for (G4int i=0;i<nElements;i++)
621   {                                               621   {
622     G4double Zelement = (*elementVector)[i]->G    622     G4double Zelement = (*elementVector)[i]->GetZ();
623     G4double Aelement = (*elementVector)[i]->G    623     G4double Aelement = (*elementVector)[i]->GetAtomicMassAmu();
624     atot += Aelement*fractionVector[i];           624     atot += Aelement*fractionVector[i];
625     zeff += Zelement*Aelement*fractionVector[i    625     zeff += Zelement*Aelement*fractionVector[i]; //average with the number of nuclei
626   }                                               626   }
627       atot /= material->GetTotNbOfAtomsPerVolu    627       atot /= material->GetTotNbOfAtomsPerVolume();
628       zeff /= (material->GetTotNbOfAtomsPerVol    628       zeff /= (material->GetTotNbOfAtomsPerVolume()*atot);
629                                                   629 
630       intZ = (G4int) (zeff+0.25);                 630       intZ = (G4int) (zeff+0.25);
631       if (intZ <= 0)                              631       if (intZ <= 0)
632   intZ = 1;                                       632   intZ = 1;
633       if (intZ > fMaxZ)                           633       if (intZ > fMaxZ)
634   intZ = fMaxZ;                                   634   intZ = fMaxZ;
635     }                                             635     }
636                                                   636 
637   if (fEffectiveCharge)                           637   if (fEffectiveCharge)
638     fEffectiveCharge->insert(std::make_pair(ma    638     fEffectiveCharge->insert(std::make_pair(material,zeff));
639                                                   639 
640   //                                              640   //
641   // 2) Calculate Coulomb Correction              641   // 2) Calculate Coulomb Correction
642   //                                              642   //
643   G4double alz = fine_structure_const*zeff;       643   G4double alz = fine_structure_const*zeff;
644   G4double alzSquared = alz*alz;                  644   G4double alzSquared = alz*alz;
645   G4double fc =  alzSquared*(0.202059-alzSquar    645   G4double fc =  alzSquared*(0.202059-alzSquared*
646            (0.03693-alzSquared*                   646            (0.03693-alzSquared*
647             (0.00835-alzSquared*(0.00201-alzSq    647             (0.00835-alzSquared*(0.00201-alzSquared*
648                (0.00049-alzSquared*               648                (0.00049-alzSquared*
649                 (0.00012-alzSquared*0.00003)))    649                 (0.00012-alzSquared*0.00003)))))
650            +1.0/(alzSquared+1.0));                650            +1.0/(alzSquared+1.0));
651   //                                              651   //
652   // 3) Screening functions and low-energy cor    652   // 3) Screening functions and low-energy corrections
653   //                                              653   //
654   G4double matRadius = 2.0/ fAtomicScreeningRa    654   G4double matRadius = 2.0/ fAtomicScreeningRadius[intZ];
655   if (fMaterialInvScreeningRadius)                655   if (fMaterialInvScreeningRadius)
656     fMaterialInvScreeningRadius->insert(std::m    656     fMaterialInvScreeningRadius->insert(std::make_pair(material,matRadius));
657                                                   657 
658   std::pair<G4double,G4double> myPair(0,0);       658   std::pair<G4double,G4double> myPair(0,0);
659   G4double f0a = 4.0*G4Log(fAtomicScreeningRad    659   G4double f0a = 4.0*G4Log(fAtomicScreeningRadius[intZ]);
660   G4double f0b = f0a - 4.0*fc;                    660   G4double f0b = f0a - 4.0*fc;
661   myPair.first = f0a;                             661   myPair.first = f0a;
662   myPair.second = f0b;                            662   myPair.second = f0b;
663                                                   663 
664   if (fScreeningFunction)                         664   if (fScreeningFunction)
665     fScreeningFunction->insert(std::make_pair(    665     fScreeningFunction->insert(std::make_pair(material,myPair));
666                                                   666 
667   if (fVerboseLevel > 2)                          667   if (fVerboseLevel > 2)
668     {                                             668     {
669       G4cout << "Average Z for material " << m    669       G4cout << "Average Z for material " << material->GetName() << " = " <<
670   zeff << G4endl;                                 670   zeff << G4endl;
671       G4cout << "Effective radius for material    671       G4cout << "Effective radius for material " << material->GetName() << " = " <<
672   fAtomicScreeningRadius[intZ] << " m_e*c/hbar    672   fAtomicScreeningRadius[intZ] << " m_e*c/hbar --> BCB = " <<
673   matRadius << G4endl;                            673   matRadius << G4endl;
674       G4cout << "Screening parameters F0 for m    674       G4cout << "Screening parameters F0 for material " << material->GetName() << " = " <<
675   f0a << "," << f0b << G4endl;                    675   f0a << "," << f0b << G4endl;
676     }                                             676     }
677   return;                                         677   return;
678 }                                                 678 }
679                                                   679 
680 //....oooOO0OOooo........oooOO0OOooo........oo    680 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
681                                                   681 
682 std::pair<G4double,G4double>                      682 std::pair<G4double,G4double>
683 G4PenelopeGammaConversionModel::GetScreeningFu    683 G4PenelopeGammaConversionModel::GetScreeningFunctions(G4double B)
684 {                                                 684 {
685   // This is subroutine SCHIFF of Penelope        685   // This is subroutine SCHIFF of Penelope
686   //                                              686   //
687   // Screening Functions F1(B) and F2(B) in th    687   // Screening Functions F1(B) and F2(B) in the Bethe-Heitler differential cross
688   // section for pair production                  688   // section for pair production
689   //                                              689   //
690   std::pair<G4double,G4double> result(0.,0.);     690   std::pair<G4double,G4double> result(0.,0.);
691   G4double BSquared = B*B;                        691   G4double BSquared = B*B;
692   G4double f1 = 2.0-2.0*G4Log(1.0+BSquared);      692   G4double f1 = 2.0-2.0*G4Log(1.0+BSquared);
693   G4double f2 = f1 - 6.66666666e-1; // (-2/3)     693   G4double f2 = f1 - 6.66666666e-1; // (-2/3)
694   if (B < 1.0e-10)                                694   if (B < 1.0e-10)
695     f1 = f1-twopi*B;                              695     f1 = f1-twopi*B;
696   else                                            696   else
697     {                                             697     {
698       G4double a0 = 4.0*B*std::atan(1./B);        698       G4double a0 = 4.0*B*std::atan(1./B);
699       f1 = f1 - a0;                               699       f1 = f1 - a0;
700       f2 += 2.0*BSquared*(4.0-a0-3.0*G4Log((1.    700       f2 += 2.0*BSquared*(4.0-a0-3.0*G4Log((1.0+BSquared)/BSquared));
701     }                                             701     }
702   G4double g1 = 0.5*(3.0*f1-f2);                  702   G4double g1 = 0.5*(3.0*f1-f2);
703   G4double g2 = 0.25*(3.0*f1+f2);                 703   G4double g2 = 0.25*(3.0*f1+f2);
704                                                   704 
705   result.first = g1;                              705   result.first = g1;
706   result.second = g2;                             706   result.second = g2;
707                                                   707 
708   return result;                                  708   return result;
709 }                                                 709 }
710                                                   710 
711 //....oooOO0OOooo........oooOO0OOooo........oo    711 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
712                                                   712 
713 void G4PenelopeGammaConversionModel::SetPartic    713 void G4PenelopeGammaConversionModel::SetParticle(const G4ParticleDefinition* p)
714 {                                                 714 {
715   if(!fParticle) {                                715   if(!fParticle) {
716     fParticle = p;                                716     fParticle = p;
717   }                                               717   }
718 }                                                 718 }
719                                                   719