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1 // 1 // 2 // ******************************************* 2 // ******************************************************************** 3 // * License and Disclaimer 3 // * License and Disclaimer * 4 // * 4 // * * 5 // * The Geant4 software is copyright of th 5 // * The Geant4 software is copyright of the Copyright Holders of * 6 // * the Geant4 Collaboration. It is provided 6 // * the Geant4 Collaboration. It is provided under the terms and * 7 // * conditions of the Geant4 Software License 7 // * conditions of the Geant4 Software License, included in the file * 8 // * LICENSE and available at http://cern.ch/ 8 // * LICENSE and available at http://cern.ch/geant4/license . These * 9 // * include a list of copyright holders. 9 // * include a list of copyright holders. * 10 // * 10 // * * 11 // * Neither the authors of this software syst 11 // * Neither the authors of this software system, nor their employing * 12 // * institutes,nor the agencies providing fin 12 // * institutes,nor the agencies providing financial support for this * 13 // * work make any representation or warran 13 // * work make any representation or warranty, express or implied, * 14 // * regarding this software system or assum 14 // * regarding this software system or assume any liability for its * 15 // * use. Please see the license in the file 15 // * use. Please see the license in the file LICENSE and URL above * 16 // * for the full disclaimer and the limitatio 16 // * for the full disclaimer and the limitation of liability. * 17 // * 17 // * * 18 // * This code implementation is the result 18 // * This code implementation is the result of the scientific and * 19 // * technical work of the GEANT4 collaboratio 19 // * technical work of the GEANT4 collaboration. * 20 // * By using, copying, modifying or distri 20 // * By using, copying, modifying or distributing the software (or * 21 // * any work based on the software) you ag 21 // * any work based on the software) you agree to acknowledge its * 22 // * use in resulting scientific publicati 22 // * use in resulting scientific publications, and indicate your * 23 // * acceptance of all terms of the Geant4 Sof 23 // * acceptance of all terms of the Geant4 Software license. * 24 // ******************************************* 24 // ******************************************************************** 25 // 25 // 26 // Authors: Luciano Pandola (luciano.pandola a 26 // Authors: Luciano Pandola (luciano.pandola at lngs.infn.it) 27 // 27 // 28 // History: 28 // History: 29 // ----------- 29 // ----------- 30 // << 30 // 31 // 03 Dec 2009 First working version, Lucian 31 // 03 Dec 2009 First working version, Luciano Pandola 32 // 16 Feb 2010 Added methods to store also t << 32 // 16 Feb 2010 Added methods to store also total Z and A for the 33 // molecule, Luciano Pandola << 33 // molecule, Luciano Pandola 34 // 19 Feb 2010 Scale the Hartree factors in << 34 // 19 Feb 2010 Scale the Hartree factors in the Compton Oscillator 35 // table by (1/fine_structure_co << 35 // table by (1/fine_structure_const), since the models use 36 // always the ratio (hartreeFact 36 // always the ratio (hartreeFactor/fine_structure_const) 37 // 16 Mar 2010 Added methods to calculate an 37 // 16 Mar 2010 Added methods to calculate and store mean exc energy 38 // and plasma energy (used for I 38 // and plasma energy (used for Ionisation). L Pandola 39 // 18 Mar 2010 Added method to retrieve numb << 39 // 18 Mar 2010 Added method to retrieve number of atoms per 40 // molecule. L. Pandola 40 // molecule. L. Pandola 41 // 06 Sep 2011 Override the local Penelope d 41 // 06 Sep 2011 Override the local Penelope database and use the main 42 // G4AtomicDeexcitation database << 42 // G4AtomicDeexcitation database to retrieve the shell 43 // binding energies. L. Pandola 43 // binding energies. L. Pandola 44 // 15 Mar 2012 Added method to retrieve numb << 44 // 15 Mar 2012 Added method to retrieve number of atom of given Z per 45 // molecule. Restore the origina 45 // molecule. Restore the original Penelope database for levels 46 // below 100 eV. L. Pandola 46 // below 100 eV. L. Pandola 47 // 47 // 48 // ------------------------------------------- 48 // ------------------------------------------------------------------- 49 49 50 #include "G4PenelopeOscillatorManager.hh" 50 #include "G4PenelopeOscillatorManager.hh" 51 51 52 #include "globals.hh" 52 #include "globals.hh" 53 #include "G4PhysicalConstants.hh" 53 #include "G4PhysicalConstants.hh" 54 #include "G4SystemOfUnits.hh" 54 #include "G4SystemOfUnits.hh" 55 #include "G4AtomicTransitionManager.hh" 55 #include "G4AtomicTransitionManager.hh" 56 #include "G4AtomicShell.hh" 56 #include "G4AtomicShell.hh" 57 #include "G4Material.hh" 57 #include "G4Material.hh" 58 #include "G4Exp.hh" << 59 << 60 //....oooOO0OOooo........oooOO0OOooo........oo << 61 << 62 G4ThreadLocal G4PenelopeOscillatorManager* G4P << 63 58 64 //....oooOO0OOooo........oooOO0OOooo........oo 59 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 65 60 66 G4PenelopeOscillatorManager::G4PenelopeOscilla << 61 G4PenelopeOscillatorManager::G4PenelopeOscillatorManager() : 67 fOscillatorStoreIonisation(nullptr),fOscilla << 62 oscillatorStoreIonisation(0),oscillatorStoreCompton(0),atomicNumber(0), 68 fAtomicNumber(nullptr),fAtomicMass(nullptr), << 63 atomicMass(0),excitationEnergy(0),plasmaSquared(0),atomsPerMolecule(0), 69 fPlasmaSquared(nullptr),fAtomsPerMolecule(nu << 64 atomTablePerMolecule(0) 70 fAtomTablePerMolecule(nullptr) << 71 { 65 { 72 fReadElementData = false; 66 fReadElementData = false; 73 for (G4int i=0;i<5;i++) 67 for (G4int i=0;i<5;i++) 74 { 68 { 75 for (G4int j=0;j<2000;j++) 69 for (G4int j=0;j<2000;j++) 76 fElementData[i][j] = 0.; << 70 elementData[i][j] = 0.; 77 } 71 } 78 fVerbosityLevel = 0; << 72 verbosityLevel = 0; 79 } 73 } 80 74 81 //....oooOO0OOooo........oooOO0OOooo........oo 75 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 82 76 83 G4PenelopeOscillatorManager::~G4PenelopeOscill 77 G4PenelopeOscillatorManager::~G4PenelopeOscillatorManager() 84 { 78 { 85 Clear(); 79 Clear(); 86 delete instance; 80 delete instance; 87 } 81 } >> 82 >> 83 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... >> 84 >> 85 G4ThreadLocal G4PenelopeOscillatorManager* G4PenelopeOscillatorManager::instance = 0; 88 86 89 //....oooOO0OOooo........oooOO0OOooo........oo 87 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 90 88 91 G4PenelopeOscillatorManager* G4PenelopeOscilla 89 G4PenelopeOscillatorManager* G4PenelopeOscillatorManager::GetOscillatorManager() 92 { 90 { 93 if (!instance) 91 if (!instance) 94 instance = new G4PenelopeOscillatorManager 92 instance = new G4PenelopeOscillatorManager(); 95 return instance; 93 return instance; 96 } 94 } 97 95 98 //....oooOO0OOooo........oooOO0OOooo........oo 96 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 99 97 100 void G4PenelopeOscillatorManager::Clear() 98 void G4PenelopeOscillatorManager::Clear() 101 { 99 { 102 if (fVerbosityLevel > 1) << 100 if (verbosityLevel > 1) 103 G4cout << " G4PenelopeOscillatorManager::C 101 G4cout << " G4PenelopeOscillatorManager::Clear() - Clean Oscillator Tables" << G4endl; 104 102 105 //Clean up OscillatorStoreIonisation 103 //Clean up OscillatorStoreIonisation 106 for (auto& item : (*fOscillatorStoreIonisati << 104 std::map<const G4Material*,G4PenelopeOscillatorTable*>::iterator i; >> 105 for (i=oscillatorStoreIonisation->begin();i != oscillatorStoreIonisation->end();i++) 107 { 106 { 108 G4PenelopeOscillatorTable* table = item. << 107 G4PenelopeOscillatorTable* table = i->second; 109 if (table) 108 if (table) 110 { 109 { 111 for (std::size_t k=0;k<table->size();++k) << 110 for (size_t k=0;k<table->size();k++) //clean individual oscillators 112 { 111 { 113 if ((*table)[k]) << 112 if ((*table)[k]) 114 delete ((*table)[k]); 113 delete ((*table)[k]); 115 } 114 } 116 delete table; 115 delete table; 117 } 116 } 118 } 117 } 119 delete fOscillatorStoreIonisation; << 118 delete oscillatorStoreIonisation; 120 119 121 //Clean up OscillatorStoreCompton 120 //Clean up OscillatorStoreCompton 122 for (auto& item : (*fOscillatorStoreCompton) << 121 for (i=oscillatorStoreCompton->begin();i != oscillatorStoreCompton->end();i++) 123 { 122 { 124 G4PenelopeOscillatorTable* table = item. << 123 G4PenelopeOscillatorTable* table = i->second; 125 if (table) 124 if (table) 126 { 125 { 127 for (std::size_t k=0;k<table->size();++k) << 126 for (size_t k=0;k<table->size();k++) //clean individual oscillators 128 { 127 { 129 if ((*table)[k]) << 128 if ((*table)[k]) 130 delete ((*table)[k]); 129 delete ((*table)[k]); 131 } 130 } 132 delete table; 131 delete table; 133 } 132 } 134 } 133 } 135 delete fOscillatorStoreCompton; << 134 delete oscillatorStoreCompton; 136 135 137 if (fAtomicMass) delete fAtomicMass; << 136 if (atomicMass) delete atomicMass; 138 if (fAtomicNumber) delete fAtomicNumber; << 137 if (atomicNumber) delete atomicNumber; 139 if (fExcitationEnergy) delete fExcitationEne << 138 if (excitationEnergy) delete excitationEnergy; 140 if (fPlasmaSquared) delete fPlasmaSquared; << 139 if (plasmaSquared) delete plasmaSquared; 141 if (fAtomsPerMolecule) delete fAtomsPerMolec << 140 if (atomsPerMolecule) delete atomsPerMolecule; 142 if (fAtomTablePerMolecule) delete fAtomTable << 141 if (atomTablePerMolecule) delete atomTablePerMolecule; 143 } 142 } 144 143 145 //....oooOO0OOooo........oooOO0OOooo........oo 144 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 146 145 147 void G4PenelopeOscillatorManager::Dump(const G 146 void G4PenelopeOscillatorManager::Dump(const G4Material* material) 148 { 147 { 149 G4PenelopeOscillatorTable* theTable = GetOsc 148 G4PenelopeOscillatorTable* theTable = GetOscillatorTableIonisation(material); 150 if (!theTable) 149 if (!theTable) 151 { 150 { 152 G4cout << " G4PenelopeOscillatorManager: 151 G4cout << " G4PenelopeOscillatorManager::Dump " << G4endl; 153 G4cout << "Problem in retrieving the Ion << 152 G4cout << "Problem in retrieving the Ionisation Oscillator Table for " << material->GetName() << G4endl; 154 << material->GetName() << G4endl; << 155 return; 153 return; 156 } 154 } 157 G4cout << "********************************* 155 G4cout << "*********************************************************************" << G4endl; 158 G4cout << " Penelope Oscillator Table Ionisa 156 G4cout << " Penelope Oscillator Table Ionisation for " << material->GetName() << G4endl; 159 G4cout << "********************************* 157 G4cout << "*********************************************************************" << G4endl; 160 G4cout << "The table contains " << theTable- 158 G4cout << "The table contains " << theTable->size() << " oscillators " << G4endl; 161 G4cout << "********************************* 159 G4cout << "*********************************************************************" << G4endl; 162 if (theTable->size() < 10) 160 if (theTable->size() < 10) 163 for (std::size_t k=0;k<theTable->size();++ << 161 for (size_t k=0;k<theTable->size();k++) 164 { 162 { 165 G4cout << "Oscillator # " << k << " Z = " << 163 G4cout << "Oscillator # " << k << " Z = " << (*theTable)[k]->GetParentZ() << 166 " Shell Flag = " << (*theTable)[k]->GetShe << 164 " Shell Flag = " << (*theTable)[k]->GetShellFlag() << 167 " Parent shell ID = " << (*theTable)[k]->G 165 " Parent shell ID = " << (*theTable)[k]->GetParentShellID() << G4endl; 168 G4cout << "Ionisation energy = " << (*theTab 166 G4cout << "Ionisation energy = " << (*theTable)[k]->GetIonisationEnergy()/eV << " eV" << G4endl; 169 G4cout << "Occupation number = " << (*theTab 167 G4cout << "Occupation number = " << (*theTable)[k]->GetOscillatorStrength() << G4endl; 170 G4cout << "Resonance energy = " << (*theTabl 168 G4cout << "Resonance energy = " << (*theTable)[k]->GetResonanceEnergy()/eV << " eV" << G4endl; 171 G4cout << "Cufoff resonance energy = " << << 169 G4cout << "Cufoff resonance energy = " << 172 (*theTable)[k]->GetCutoffRecoilResonantEne 170 (*theTable)[k]->GetCutoffRecoilResonantEnergy()/eV << " eV" << G4endl; 173 G4cout << "********************************* 171 G4cout << "*********************************************************************" << G4endl; 174 } 172 } 175 for (std::size_t k=0;k<theTable->size();++k) << 173 for (size_t k=0;k<theTable->size();k++) 176 { << 174 { 177 G4cout << k << " " << (*theTable)[k]->Ge << 175 G4cout << k << " " << (*theTable)[k]->GetOscillatorStrength() << " " << 178 (*theTable)[k]->GetIonisationEnergy()/eV << << 176 (*theTable)[k]->GetIonisationEnergy()/eV << " " << (*theTable)[k]->GetResonanceEnergy()/eV << " " << 179 << (*theTable)[k]->GetResonanceEnergy() << 177 (*theTable)[k]->GetParentZ() << " " << (*theTable)[k]->GetShellFlag() << " " << 180 (*theTable)[k]->GetParentZ() << " " << (*the << 181 (*theTable)[k]->GetParentShellID() << G4endl 178 (*theTable)[k]->GetParentShellID() << G4endl; 182 } 179 } 183 G4cout << "********************************* 180 G4cout << "*********************************************************************" << G4endl; >> 181 184 182 185 //Compton table 183 //Compton table 186 theTable = GetOscillatorTableCompton(materia 184 theTable = GetOscillatorTableCompton(material); 187 if (!theTable) 185 if (!theTable) 188 { 186 { 189 G4cout << " G4PenelopeOscillatorManager: 187 G4cout << " G4PenelopeOscillatorManager::Dump " << G4endl; 190 G4cout << "Problem in retrieving the Com << 188 G4cout << "Problem in retrieving the Compton Oscillator Table for " << material->GetName() << G4endl; 191 material->GetName() << G4endl; << 192 return; 189 return; 193 } 190 } 194 G4cout << "********************************* 191 G4cout << "*********************************************************************" << G4endl; 195 G4cout << " Penelope Oscillator Table Compto 192 G4cout << " Penelope Oscillator Table Compton for " << material->GetName() << G4endl; 196 G4cout << "********************************* 193 G4cout << "*********************************************************************" << G4endl; 197 G4cout << "The table contains " << theTable- 194 G4cout << "The table contains " << theTable->size() << " oscillators " << G4endl; 198 G4cout << "********************************* 195 G4cout << "*********************************************************************" << G4endl; 199 if (theTable->size() < 10) 196 if (theTable->size() < 10) 200 for (std::size_t k=0;k<theTable->size();++ << 197 for (size_t k=0;k<theTable->size();k++) 201 { 198 { 202 G4cout << "Oscillator # " << k << " Z = " << 199 G4cout << "Oscillator # " << k << " Z = " << (*theTable)[k]->GetParentZ() << 203 " Shell Flag = " << (*theTable)[k]->GetShe << 200 " Shell Flag = " << (*theTable)[k]->GetShellFlag() << 204 " Parent shell ID = " << (*theTable)[k]-> 201 " Parent shell ID = " << (*theTable)[k]->GetParentShellID() << G4endl; 205 G4cout << "Compton index = " << (*theTable)[ 202 G4cout << "Compton index = " << (*theTable)[k]->GetHartreeFactor() << G4endl; 206 G4cout << "Ionisation energy = " << (*theTab 203 G4cout << "Ionisation energy = " << (*theTable)[k]->GetIonisationEnergy()/eV << " eV" << G4endl; 207 G4cout << "Occupation number = " << (*theTab 204 G4cout << "Occupation number = " << (*theTable)[k]->GetOscillatorStrength() << G4endl; 208 G4cout << "********************************* 205 G4cout << "*********************************************************************" << G4endl; 209 } 206 } 210 for (std::size_t k=0;k<theTable->size();++k) << 207 for (size_t k=0;k<theTable->size();k++) 211 { << 208 { 212 G4cout << k << " " << (*theTable)[k]->Ge << 209 G4cout << k << " " << (*theTable)[k]->GetOscillatorStrength() << " " << 213 (*theTable)[k]->GetIonisationEnergy()/eV << << 210 (*theTable)[k]->GetIonisationEnergy()/eV << " " << (*theTable)[k]->GetHartreeFactor() << " " << 214 (*theTable)[k]->GetParentZ() << " " << (*the << 211 (*theTable)[k]->GetParentZ() << " " << (*theTable)[k]->GetShellFlag() << " " << 215 (*theTable)[k]->GetParentShellID() << G4endl 212 (*theTable)[k]->GetParentShellID() << G4endl; 216 } 213 } 217 G4cout << "********************************* 214 G4cout << "*********************************************************************" << G4endl; 218 << 215 219 return; 216 return; 220 } 217 } 221 218 222 //....oooOO0OOooo........oooOO0OOooo........oo 219 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 223 220 224 void G4PenelopeOscillatorManager::CheckForTabl 221 void G4PenelopeOscillatorManager::CheckForTablesCreated() 225 { 222 { 226 //Tables should be created at the same time, << 223 //Tables should be created at the same time, since they are both filled 227 //simultaneously 224 //simultaneously 228 if (!fOscillatorStoreIonisation) << 225 if (!oscillatorStoreIonisation) 229 { 226 { 230 fOscillatorStoreIonisation = new std::ma << 227 oscillatorStoreIonisation = new std::map<const G4Material*,G4PenelopeOscillatorTable*>; 231 if (!fReadElementData) 228 if (!fReadElementData) 232 ReadElementData(); 229 ReadElementData(); 233 if (!fOscillatorStoreIonisation) << 230 if (!oscillatorStoreIonisation) 234 //It should be ok now 231 //It should be ok now 235 G4Exception("G4PenelopeOscillatorManager::Ge 232 G4Exception("G4PenelopeOscillatorManager::GetOscillatorTableIonisation()", 236 "em2034",FatalException, 233 "em2034",FatalException, 237 "Problem in allocating the Oscillator << 234 "Problem in allocating the Oscillator Store for Ionisation"); 238 } 235 } 239 236 240 if (!fOscillatorStoreCompton) << 237 if (!oscillatorStoreCompton) 241 { 238 { 242 fOscillatorStoreCompton = new std::map<c << 239 oscillatorStoreCompton = new std::map<const G4Material*,G4PenelopeOscillatorTable*>; 243 if (!fReadElementData) 240 if (!fReadElementData) 244 ReadElementData(); 241 ReadElementData(); 245 if (!fOscillatorStoreCompton) << 242 if (!oscillatorStoreCompton) 246 //It should be ok now 243 //It should be ok now 247 G4Exception("G4PenelopeOscillatorManager::Ge 244 G4Exception("G4PenelopeOscillatorManager::GetOscillatorTableIonisation()", 248 "em2034",FatalException, 245 "em2034",FatalException, 249 "Problem in allocating the Oscillator << 246 "Problem in allocating the Oscillator Store for Compton"); 250 } 247 } 251 248 252 if (!fAtomicNumber) << 249 if (!atomicNumber) 253 fAtomicNumber = new std::map<const G4Mater << 250 atomicNumber = new std::map<const G4Material*,G4double>; 254 if (!fAtomicMass) << 251 if (!atomicMass) 255 fAtomicMass = new std::map<const G4Materia << 252 atomicMass = new std::map<const G4Material*,G4double>; 256 if (!fExcitationEnergy) << 253 if (!excitationEnergy) 257 fExcitationEnergy = new std::map<const G4M << 254 excitationEnergy = new std::map<const G4Material*,G4double>; 258 if (!fPlasmaSquared) << 255 if (!plasmaSquared) 259 fPlasmaSquared = new std::map<const G4Mate << 256 plasmaSquared = new std::map<const G4Material*,G4double>; 260 if (!fAtomsPerMolecule) << 257 if (!atomsPerMolecule) 261 fAtomsPerMolecule = new std::map<const G4M << 258 atomsPerMolecule = new std::map<const G4Material*,G4double>; 262 if (!fAtomTablePerMolecule) << 259 if (!atomTablePerMolecule) 263 fAtomTablePerMolecule = new std::map< std: << 260 atomTablePerMolecule = new std::map< std::pair<const G4Material*,G4int>, G4double>; 264 } 261 } 265 262 266 263 267 //....oooOO0OOooo........oooOO0OOooo........oo 264 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 268 265 269 G4double G4PenelopeOscillatorManager::GetTotal 266 G4double G4PenelopeOscillatorManager::GetTotalZ(const G4Material* mat) 270 { 267 { 271 // (1) First time, create fOscillatorStores << 268 // (1) First time, create oscillatorStores and read data 272 CheckForTablesCreated(); 269 CheckForTablesCreated(); 273 270 274 // (2) Check if the material has been alread 271 // (2) Check if the material has been already included 275 if (fAtomicNumber->count(mat)) << 272 if (atomicNumber->count(mat)) 276 return fAtomicNumber->find(mat)->second; << 273 return atomicNumber->find(mat)->second; 277 << 274 278 // (3) If we are here, it means that we have 275 // (3) If we are here, it means that we have to create the table for the material 279 BuildOscillatorTable(mat); 276 BuildOscillatorTable(mat); 280 277 281 // (4) now, the oscillator store should be o 278 // (4) now, the oscillator store should be ok 282 if (fAtomicNumber->count(mat)) << 279 if (atomicNumber->count(mat)) 283 return fAtomicNumber->find(mat)->second; << 280 return atomicNumber->find(mat)->second; 284 else 281 else 285 { 282 { 286 G4cout << "G4PenelopeOscillatorManager:: 283 G4cout << "G4PenelopeOscillatorManager::GetTotalZ() " << G4endl; 287 G4cout << "Impossible to retrieve the to << 284 G4cout << "Impossible to retrieve the total Z for " << mat->GetName() << G4endl; 288 return 0; 285 return 0; 289 } 286 } 290 } 287 } 291 288 292 //....oooOO0OOooo........oooOO0OOooo........oo 289 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 293 290 294 G4double G4PenelopeOscillatorManager::GetTotal 291 G4double G4PenelopeOscillatorManager::GetTotalA(const G4Material* mat) 295 { 292 { 296 // (1) First time, create fOscillatorStores << 293 // (1) First time, create oscillatorStores and read data 297 CheckForTablesCreated(); 294 CheckForTablesCreated(); 298 295 299 // (2) Check if the material has been alread 296 // (2) Check if the material has been already included 300 if (fAtomicMass->count(mat)) << 297 if (atomicMass->count(mat)) 301 return fAtomicMass->find(mat)->second; << 298 return atomicMass->find(mat)->second; 302 << 299 303 // (3) If we are here, it means that we have 300 // (3) If we are here, it means that we have to create the table for the material 304 BuildOscillatorTable(mat); 301 BuildOscillatorTable(mat); 305 302 306 // (4) now, the oscillator store should be o 303 // (4) now, the oscillator store should be ok 307 if (fAtomicMass->count(mat)) << 304 if (atomicMass->count(mat)) 308 return fAtomicMass->find(mat)->second; << 305 return atomicMass->find(mat)->second; 309 else 306 else 310 { 307 { 311 G4cout << "G4PenelopeOscillatorManager:: 308 G4cout << "G4PenelopeOscillatorManager::GetTotalA() " << G4endl; 312 G4cout << "Impossible to retrieve the to << 309 G4cout << "Impossible to retrieve the total A for " << mat->GetName() << G4endl; 313 return 0; 310 return 0; 314 } 311 } 315 } 312 } 316 313 317 //....oooOO0OOooo........oooOO0OOooo........oo 314 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 318 315 319 G4PenelopeOscillatorTable* G4PenelopeOscillato 316 G4PenelopeOscillatorTable* G4PenelopeOscillatorManager::GetOscillatorTableIonisation(const G4Material* mat) 320 { 317 { 321 // (1) First time, create fOscillatorStores << 318 // (1) First time, create oscillatorStores and read data 322 CheckForTablesCreated(); 319 CheckForTablesCreated(); 323 320 324 // (2) Check if the material has been alread 321 // (2) Check if the material has been already included 325 if (fOscillatorStoreIonisation->count(mat)) << 322 if (oscillatorStoreIonisation->count(mat)) 326 { 323 { 327 //Ok, it exists 324 //Ok, it exists 328 return fOscillatorStoreIonisation->find( << 325 return oscillatorStoreIonisation->find(mat)->second; 329 } 326 } 330 327 331 // (3) If we are here, it means that we have 328 // (3) If we are here, it means that we have to create the table for the material 332 BuildOscillatorTable(mat); 329 BuildOscillatorTable(mat); 333 330 334 // (4) now, the oscillator store should be o 331 // (4) now, the oscillator store should be ok 335 if (fOscillatorStoreIonisation->count(mat)) << 332 if (oscillatorStoreIonisation->count(mat)) 336 return fOscillatorStoreIonisation->find(ma << 333 return oscillatorStoreIonisation->find(mat)->second; 337 else 334 else 338 { 335 { 339 G4cout << "G4PenelopeOscillatorManager:: 336 G4cout << "G4PenelopeOscillatorManager::GetOscillatorTableIonisation() " << G4endl; 340 G4cout << "Impossible to create ionisati << 337 G4cout << "Impossible to create ionisation oscillator table for " << mat->GetName() << G4endl; 341 return nullptr; << 338 return NULL; 342 } 339 } 343 } 340 } 344 341 345 //....oooOO0OOooo........oooOO0OOooo........oo 342 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 346 343 347 G4PenelopeOscillator* G4PenelopeOscillatorMana 344 G4PenelopeOscillator* G4PenelopeOscillatorManager::GetOscillatorIonisation(const G4Material* material, 348 G4int index) 345 G4int index) 349 { 346 { 350 G4PenelopeOscillatorTable* theTable = GetOsc 347 G4PenelopeOscillatorTable* theTable = GetOscillatorTableIonisation(material); 351 if (((std::size_t)index) < theTable->size()) << 348 if (((size_t)index) < theTable->size()) 352 return (*theTable)[index]; 349 return (*theTable)[index]; 353 else 350 else 354 { 351 { 355 G4cout << "WARNING: Ionisation table for << 352 G4cout << "WARNING: Ionisation table for material " << material->GetName() << " has " << 356 theTable->size() << " oscillators" << G4endl 353 theTable->size() << " oscillators" << G4endl; 357 G4cout << "Oscillator #" << index << " c 354 G4cout << "Oscillator #" << index << " cannot be retrieved" << G4endl; 358 G4cout << "Returning null pointer" << G4 355 G4cout << "Returning null pointer" << G4endl; 359 return nullptr; << 356 return NULL; 360 } << 357 } 361 } 358 } 362 359 363 360 364 //....oooOO0OOooo........oooOO0OOooo........oo 361 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 365 362 366 G4PenelopeOscillatorTable* G4PenelopeOscillato 363 G4PenelopeOscillatorTable* G4PenelopeOscillatorManager::GetOscillatorTableCompton(const G4Material* mat) 367 { 364 { 368 // (1) First time, create fOscillatorStore a << 365 // (1) First time, create oscillatorStore and read data 369 CheckForTablesCreated(); 366 CheckForTablesCreated(); 370 367 371 // (2) Check if the material has been alread 368 // (2) Check if the material has been already included 372 if (fOscillatorStoreCompton->count(mat)) << 369 if (oscillatorStoreCompton->count(mat)) 373 { 370 { 374 //Ok, it exists 371 //Ok, it exists 375 return fOscillatorStoreCompton->find(mat << 372 return oscillatorStoreCompton->find(mat)->second; 376 } 373 } 377 374 378 // (3) If we are here, it means that we have 375 // (3) If we are here, it means that we have to create the table for the material 379 BuildOscillatorTable(mat); 376 BuildOscillatorTable(mat); 380 377 381 // (4) now, the oscillator store should be o 378 // (4) now, the oscillator store should be ok 382 if (fOscillatorStoreCompton->count(mat)) << 379 if (oscillatorStoreCompton->count(mat)) 383 return fOscillatorStoreCompton->find(mat)- << 380 return oscillatorStoreCompton->find(mat)->second; 384 else 381 else 385 { 382 { 386 G4cout << "G4PenelopeOscillatorManager:: 383 G4cout << "G4PenelopeOscillatorManager::GetOscillatorTableCompton() " << G4endl; 387 G4cout << "Impossible to create Compton << 384 G4cout << "Impossible to create Compton oscillator table for " << mat->GetName() << G4endl; 388 return nullptr; << 385 return NULL; 389 } 386 } 390 } 387 } 391 388 392 //....oooOO0OOooo........oooOO0OOooo........oo 389 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 393 390 394 G4PenelopeOscillator* G4PenelopeOscillatorMana 391 G4PenelopeOscillator* G4PenelopeOscillatorManager::GetOscillatorCompton(const G4Material* material, 395 G4int index) 392 G4int index) 396 { 393 { 397 G4PenelopeOscillatorTable* theTable = GetOsc 394 G4PenelopeOscillatorTable* theTable = GetOscillatorTableCompton(material); 398 if (((std::size_t)index) < theTable->size()) << 395 if (((size_t)index) < theTable->size()) 399 return (*theTable)[index]; 396 return (*theTable)[index]; 400 else 397 else 401 { 398 { 402 G4cout << "WARNING: Compton table for ma << 399 G4cout << "WARNING: Compton table for material " << material->GetName() << " has " << 403 theTable->size() << " oscillators" << G4endl 400 theTable->size() << " oscillators" << G4endl; 404 G4cout << "Oscillator #" << index << " c 401 G4cout << "Oscillator #" << index << " cannot be retrieved" << G4endl; 405 G4cout << "Returning null pointer" << G4 402 G4cout << "Returning null pointer" << G4endl; 406 return nullptr; << 403 return NULL; 407 } << 404 } 408 } 405 } 409 406 410 //....oooOO0OOooo........oooOO0OOooo........oo 407 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 411 408 412 void G4PenelopeOscillatorManager::BuildOscilla 409 void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* material) 413 { 410 { 414 //THIS CORRESPONDS TO THE ROUTINE PEMATW of 411 //THIS CORRESPONDS TO THE ROUTINE PEMATW of PENELOPE 415 412 416 G4double meanAtomExcitationEnergy[99] = {19. 413 G4double meanAtomExcitationEnergy[99] = {19.2*eV, 41.8*eV, 40.0*eV, 63.7*eV, 76.0*eV, 81.0*eV, 417 82.0*eV, 95.0*eV,115.0*eV,137.0*e 414 82.0*eV, 95.0*eV,115.0*eV,137.0*eV,149.0*eV,156.0*eV, 418 166.0*eV, 415 166.0*eV, 419 173.0*eV,173.0*eV,180.0*eV,174.0* 416 173.0*eV,173.0*eV,180.0*eV,174.0*eV,188.0*eV,190.0*eV,191.0*eV, 420 216.0*eV,233.0*eV,245.0*eV,257.0* 417 216.0*eV,233.0*eV,245.0*eV,257.0*eV,272.0*eV,286.0*eV,297.0*eV, 421 311.0*eV,322.0*eV,330.0*eV,334.0* 418 311.0*eV,322.0*eV,330.0*eV,334.0*eV,350.0*eV,347.0*eV,348.0*eV, 422 343.0*eV,352.0*eV,363.0*eV,366.0* 419 343.0*eV,352.0*eV,363.0*eV,366.0*eV,379.0*eV,393.0*eV,417.0*eV, 423 424.0*eV,428.0*eV,441.0*eV,449.0* 420 424.0*eV,428.0*eV,441.0*eV,449.0*eV,470.0*eV,470.0*eV,469.0*eV, 424 488.0*eV,488.0*eV,487.0*eV,485.0* 421 488.0*eV,488.0*eV,487.0*eV,485.0*eV,491.0*eV,482.0*eV,488.0*eV, 425 491.0*eV,501.0*eV,523.0*eV,535.0* 422 491.0*eV,501.0*eV,523.0*eV,535.0*eV,546.0*eV,560.0*eV,574.0*eV, 426 580.0*eV,591.0*eV,614.0*eV,628.0* 423 580.0*eV,591.0*eV,614.0*eV,628.0*eV,650.0*eV,658.0*eV,674.0*eV, 427 684.0*eV,694.0*eV,705.0*eV,718.0* 424 684.0*eV,694.0*eV,705.0*eV,718.0*eV,727.0*eV,736.0*eV,746.0*eV, 428 757.0*eV,790.0*eV,790.0*eV,800.0* 425 757.0*eV,790.0*eV,790.0*eV,800.0*eV,810.0*eV,823.0*eV,823.0*eV, 429 830.0*eV,825.0*eV,794.0*eV,827.0* 426 830.0*eV,825.0*eV,794.0*eV,827.0*eV,826.0*eV,841.0*eV,847.0*eV, 430 878.0*eV,890.0*eV,902.0*eV,921.0* 427 878.0*eV,890.0*eV,902.0*eV,921.0*eV,934.0*eV,939.0*eV,952.0*eV, 431 966.0*eV,980.0*eV}; 428 966.0*eV,980.0*eV}; 432 429 433 if (fVerbosityLevel > 0) << 430 if (verbosityLevel > 0) 434 G4cout << "Going to build Oscillator Table 431 G4cout << "Going to build Oscillator Table for " << material->GetName() << G4endl; 435 432 436 G4int nElements = (G4int)material->GetNumber << 433 G4int nElements = material->GetNumberOfElements(); 437 const G4ElementVector* elementVector = mater 434 const G4ElementVector* elementVector = material->GetElementVector(); 438 << 435 >> 436 439 //At the moment, there's no way in Geant4 to 437 //At the moment, there's no way in Geant4 to know if a material 440 //is defined with atom numbers or fraction o 438 //is defined with atom numbers or fraction of weigth 441 const G4double* fractionVector = material->G 439 const G4double* fractionVector = material->GetFractionVector(); 442 440 443 //Take always the composition by fraction of << 441 >> 442 //Take always the composition by fraction of mass. For the composition by 444 //atoms: it is calculated by Geant4 but with 443 //atoms: it is calculated by Geant4 but with some rounding to integers 445 G4double totalZ = 0; 444 G4double totalZ = 0; 446 G4double totalMolecularWeight = 0; 445 G4double totalMolecularWeight = 0; 447 G4double meanExcitationEnergy = 0; 446 G4double meanExcitationEnergy = 0; 448 447 449 std::vector<G4double> *StechiometricFactors 448 std::vector<G4double> *StechiometricFactors = new std::vector<G4double>; 450 << 449 451 for (G4int i=0;i<nElements;i++) 450 for (G4int i=0;i<nElements;i++) 452 { 451 { 453 //G4int iZ = (G4int) (*elementVector)[i] 452 //G4int iZ = (G4int) (*elementVector)[i]->GetZ(); 454 G4double fraction = fractionVector[i]; 453 G4double fraction = fractionVector[i]; 455 G4double atomicWeigth = (*elementVector) 454 G4double atomicWeigth = (*elementVector)[i]->GetAtomicMassAmu(); 456 StechiometricFactors->push_back(fraction 455 StechiometricFactors->push_back(fraction/atomicWeigth); 457 } << 456 } 458 //Find max 457 //Find max 459 G4double MaxStechiometricFactor = 0.; 458 G4double MaxStechiometricFactor = 0.; 460 for (G4int i=0;i<nElements;i++) 459 for (G4int i=0;i<nElements;i++) 461 { 460 { 462 if ((*StechiometricFactors)[i] > MaxStec 461 if ((*StechiometricFactors)[i] > MaxStechiometricFactor) 463 MaxStechiometricFactor = (*StechiometricFact 462 MaxStechiometricFactor = (*StechiometricFactors)[i]; 464 } 463 } 465 if (MaxStechiometricFactor<1e-16) 464 if (MaxStechiometricFactor<1e-16) 466 { 465 { 467 G4ExceptionDescription ed; 466 G4ExceptionDescription ed; 468 ed << "Problem with the mass composition 467 ed << "Problem with the mass composition of " << material->GetName() << G4endl; 469 ed << "MaxStechiometricFactor = " << Max 468 ed << "MaxStechiometricFactor = " << MaxStechiometricFactor << G4endl; 470 G4Exception("G4PenelopeOscillatorManager 469 G4Exception("G4PenelopeOscillatorManager::BuildOscillatorTable()", 471 "em2035",FatalException,ed); 470 "em2035",FatalException,ed); 472 } 471 } 473 //Normalize 472 //Normalize 474 for (G4int i=0;i<nElements;++i) << 473 for (G4int i=0;i<nElements;i++) 475 (*StechiometricFactors)[i] /= MaxStechiom 474 (*StechiometricFactors)[i] /= MaxStechiometricFactor; 476 475 477 // Equivalent atoms per molecule 476 // Equivalent atoms per molecule 478 G4double theatomsPerMolecule = 0; 477 G4double theatomsPerMolecule = 0; 479 for (G4int i=0;i<nElements;i++) 478 for (G4int i=0;i<nElements;i++) 480 theatomsPerMolecule += (*StechiometricFact 479 theatomsPerMolecule += (*StechiometricFactors)[i]; 481 G4double moleculeDensity = << 480 G4double moleculeDensity = 482 material->GetTotNbOfAtomsPerVolume()/theat 481 material->GetTotNbOfAtomsPerVolume()/theatomsPerMolecule; //molecules per unit volume 483 482 484 if (fVerbosityLevel > 1) << 483 >> 484 if (verbosityLevel > 1) 485 { 485 { 486 for (std::size_t i=0;i<StechiometricFact << 486 for (size_t i=0;i<StechiometricFactors->size();i++) 487 { 487 { 488 G4cout << "Element " << (*elementVector)[i << 488 G4cout << "Element " << (*elementVector)[i]->GetSymbol() << " (Z = " << 489 (*elementVector)[i]->GetZasInt() << ") - << 489 (*elementVector)[i]->GetZ() << ") --> " << 490 (*StechiometricFactors)[i] << " atoms/mo << 490 (*StechiometricFactors)[i] << " atoms/molecule " << G4endl; 491 } 491 } 492 } 492 } 493 493 494 for (G4int i=0;i<nElements;++i) << 494 >> 495 for (G4int i=0;i<nElements;i++) 495 { 496 { 496 G4int iZ = (*elementVector)[i]->GetZasIn << 497 G4int iZ = (G4int) (*elementVector)[i]->GetZ(); 497 totalZ += iZ * (*StechiometricFactors)[i 498 totalZ += iZ * (*StechiometricFactors)[i]; 498 totalMolecularWeight += (*elementVector) 499 totalMolecularWeight += (*elementVector)[i]->GetAtomicMassAmu() * (*StechiometricFactors)[i]; 499 meanExcitationEnergy += iZ*G4Log(meanAto << 500 meanExcitationEnergy += iZ*std::log(meanAtomExcitationEnergy[iZ-1])*(*StechiometricFactors)[i]; >> 501 /* >> 502 G4cout << iZ << " " << (*StechiometricFactors)[i] << " " << totalZ << " " << >> 503 totalMolecularWeight/(g/mole) << " " << meanExcitationEnergy << " " << >> 504 meanAtomExcitationEnergy[iZ-1]/eV << >> 505 G4endl; >> 506 */ 500 std::pair<const G4Material*,G4int> theKe 507 std::pair<const G4Material*,G4int> theKey = std::make_pair(material,iZ); 501 if (!fAtomTablePerMolecule->count(theKey << 508 if (!atomTablePerMolecule->count(theKey)) 502 fAtomTablePerMolecule->insert(std::make_pair << 509 atomTablePerMolecule->insert(std::make_pair(theKey,(*StechiometricFactors)[i])); 503 } 510 } 504 meanExcitationEnergy = G4Exp(meanExcitationE << 511 meanExcitationEnergy = std::exp(meanExcitationEnergy/totalZ); 505 512 506 fAtomicNumber->insert(std::make_pair(materia << 513 atomicNumber->insert(std::make_pair(material,totalZ)); 507 fAtomicMass->insert(std::make_pair(material, << 514 atomicMass->insert(std::make_pair(material,totalMolecularWeight)); 508 fExcitationEnergy->insert(std::make_pair(mat << 515 excitationEnergy->insert(std::make_pair(material,meanExcitationEnergy)); 509 fAtomsPerMolecule->insert(std::make_pair(mat << 516 atomsPerMolecule->insert(std::make_pair(material,theatomsPerMolecule)); 510 517 511 if (fVerbosityLevel > 1) << 518 >> 519 if (verbosityLevel > 1) 512 { 520 { 513 G4cout << "Calculated mean excitation en << 521 G4cout << "Calculated mean excitation energy for " << material->GetName() << 514 " = " << meanExcitationEnergy/eV << " eV" << 522 " = " << meanExcitationEnergy/eV << " eV" << G4endl; 515 } 523 } 516 << 524 517 std::vector<G4PenelopeOscillator> *helper = 525 std::vector<G4PenelopeOscillator> *helper = new std::vector<G4PenelopeOscillator>; 518 526 519 //First Oscillator: conduction band. Tentati << 527 //First Oscillator: conduction band. Tentativaly assumed to consist of valence electrons (each 520 //atom contributes a number of electrons equ 528 //atom contributes a number of electrons equal to its lowest chemical valence) 521 G4PenelopeOscillator newOsc; << 529 G4PenelopeOscillator newOsc; 522 newOsc.SetOscillatorStrength(0.); 530 newOsc.SetOscillatorStrength(0.); 523 newOsc.SetIonisationEnergy(0*eV); 531 newOsc.SetIonisationEnergy(0*eV); 524 newOsc.SetHartreeFactor(0); 532 newOsc.SetHartreeFactor(0); 525 newOsc.SetParentZ(0); 533 newOsc.SetParentZ(0); 526 newOsc.SetShellFlag(30); 534 newOsc.SetShellFlag(30); 527 newOsc.SetParentShellID(30); //does not corr 535 newOsc.SetParentShellID(30); //does not correspond to any "real" level 528 helper->push_back(newOsc); 536 helper->push_back(newOsc); 529 537 530 //Load elements and oscillators 538 //Load elements and oscillators 531 for (G4int k=0;k<nElements;k++) 539 for (G4int k=0;k<nElements;k++) 532 { 540 { 533 G4double Z = (*elementVector)[k]->GetZ() 541 G4double Z = (*elementVector)[k]->GetZ(); 534 G4bool finished = false; 542 G4bool finished = false; 535 for (G4int i=0;i<2000 && !finished;i++) 543 for (G4int i=0;i<2000 && !finished;i++) 536 { 544 { 537 /* 545 /* 538 fElementData[0][i] = Z; << 546 elementData[0][i] = Z; 539 fElementData[1][i] = shellCode; << 547 elementData[1][i] = shellCode; 540 fElementData[2][i] = occupationNumber; << 548 elementData[2][i] = occupationNumber; 541 fElementData[3][i] = ionisationEnergy; << 549 elementData[3][i] = ionisationEnergy; 542 fElementData[4][i] = hartreeProfile; << 550 elementData[4][i] = hartreeProfile; 543 */ 551 */ 544 if (fElementData[0][i] == Z) << 552 if (elementData[0][i] == Z) 545 { 553 { 546 G4int shellID = (G4int) fElementData[1 << 554 G4int shellID = (G4int) elementData[1][i]; 547 G4double occup = fElementData[2][i]; << 555 G4double occup = elementData[2][i]; 548 if (shellID > 0) 556 if (shellID > 0) 549 { 557 { 550 << 558 551 if (std::fabs(occup) > 0) 559 if (std::fabs(occup) > 0) 552 { 560 { 553 G4PenelopeOscillator newOscLocal; << 561 G4PenelopeOscillator newOscLocal; 554 newOscLocal.SetOscillatorStrength(st 562 newOscLocal.SetOscillatorStrength(std::fabs(occup)*(*StechiometricFactors)[k]); 555 newOscLocal.SetIonisationEnergy(fEle << 563 newOscLocal.SetIonisationEnergy(elementData[3][i]); 556 newOscLocal.SetHartreeFactor(fElemen << 564 newOscLocal.SetHartreeFactor(elementData[4][i]/fine_structure_const); 557 newOscLocal.SetParentZ(fElementData[ << 565 newOscLocal.SetParentZ(elementData[0][i]); 558 //keep track of the origianl shell l 566 //keep track of the origianl shell level 559 newOscLocal.SetParentShellID((G4int) << 567 newOscLocal.SetParentShellID((G4int)elementData[1][i]); 560 //register only K, L and M shells. O << 568 //register only K, L and M shells. Outer shells all grouped with 561 //shellIndex = 30 569 //shellIndex = 30 562 if (fElementData[0][i] > 6 && fEleme << 570 if (elementData[0][i] > 6 && elementData[1][i] < 10) 563 newOscLocal.SetShellFlag(((G4int)fElemen << 571 newOscLocal.SetShellFlag(((G4int)elementData[1][i])); 564 else 572 else 565 newOscLocal.SetShellFlag(30); 573 newOscLocal.SetShellFlag(30); 566 helper->push_back(newOscLocal); 574 helper->push_back(newOscLocal); 567 if (occup < 0) << 575 if (occup < 0) 568 { 576 { 569 G4double ff = (*helper)[0].GetOscillat 577 G4double ff = (*helper)[0].GetOscillatorStrength(); 570 ff += std::fabs(occup)*(*Stechiometric 578 ff += std::fabs(occup)*(*StechiometricFactors)[k]; 571 (*helper)[0].SetOscillatorStrength(ff) 579 (*helper)[0].SetOscillatorStrength(ff); 572 } << 580 } 573 } 581 } 574 } 582 } 575 } 583 } 576 if (fElementData[0][i] > Z) << 584 if (elementData[0][i] > Z) 577 finished = true; << 585 finished = true; 578 } 586 } 579 } 587 } 580 588 581 delete StechiometricFactors; 589 delete StechiometricFactors; 582 << 590 583 //NOW: sort oscillators according to increas 591 //NOW: sort oscillators according to increasing ionisation energy 584 //Notice: it works because helper is a vecto << 592 //Notice: it works because helper is a vector of _object_, not a 585 //vector to _pointers_ 593 //vector to _pointers_ 586 std::sort(helper->begin(),helper->end()); 594 std::sort(helper->begin(),helper->end()); 587 << 595 588 // Plasma energy and conduction band excitat 596 // Plasma energy and conduction band excitation 589 static const G4double RydbergEnergy = 13.605 597 static const G4double RydbergEnergy = 13.60569*eV; 590 G4double Omega = std::sqrt(4*pi*moleculeDens << 598 G4double Omega = std::sqrt(4*pi*moleculeDensity*totalZ*Bohr_radius)*Bohr_radius*2.0*RydbergEnergy; 591 G4double conductionStrength = (*helper)[0].G 599 G4double conductionStrength = (*helper)[0].GetOscillatorStrength(); 592 G4double plasmaEnergy = Omega*std::sqrt(cond 600 G4double plasmaEnergy = Omega*std::sqrt(conductionStrength/totalZ); 593 601 594 fPlasmaSquared->insert(std::make_pair(materi << 602 plasmaSquared->insert(std::make_pair(material,Omega*Omega)); 595 603 596 G4bool isAConductor = false; 604 G4bool isAConductor = false; 597 G4int nullOsc = 0; 605 G4int nullOsc = 0; 598 606 599 if (fVerbosityLevel > 1) << 607 if (verbosityLevel > 1) 600 { 608 { 601 G4cout << "Estimated oscillator strength << 609 G4cout << "Estimated oscillator strenght and energy of plasmon: " << 602 conductionStrength << " and " << plasmaEnerg << 610 conductionStrength << " and " << plasmaEnergy/eV << " eV" << G4endl; 603 } 611 } 604 << 612 605 if (conductionStrength < 0.01 || plasmaEnerg 613 if (conductionStrength < 0.01 || plasmaEnergy<1.0*eV) //this is an insulator 606 { 614 { 607 if (fVerbosityLevel >1 ) << 615 if (verbosityLevel >1 ) 608 G4cout << material->GetName() << " is an ins 616 G4cout << material->GetName() << " is an insulator " << G4endl; 609 //remove conduction band oscillator 617 //remove conduction band oscillator 610 helper->erase(helper->begin()); 618 helper->erase(helper->begin()); 611 } 619 } 612 else //this is a conductor, Outer shells mov 620 else //this is a conductor, Outer shells moved to conduction band 613 { 621 { 614 if (fVerbosityLevel >1 ) << 622 if (verbosityLevel >1 ) 615 G4cout << material->GetName() << " is a cond << 623 G4cout << material->GetName() << " is a conductor " << G4endl; 616 isAConductor = true; 624 isAConductor = true; 617 //copy the conduction strength.. The num << 625 //copy the conduction strenght.. The number is going to change. 618 G4double conductionStrengthCopy = conduc 626 G4double conductionStrengthCopy = conductionStrength; 619 G4bool quit = false; 627 G4bool quit = false; 620 for (std::size_t i = 1; i<helper->size() << 628 for (size_t i = 1; i<helper->size() && !quit ;i++) 621 { 629 { 622 G4double oscStre = (*helper)[i].GetOscilla 630 G4double oscStre = (*helper)[i].GetOscillatorStrength(); 623 //loop is repeated over here 631 //loop is repeated over here 624 if (oscStre < conductionStrengthCopy) 632 if (oscStre < conductionStrengthCopy) 625 { 633 { 626 conductionStrengthCopy = conductionStr 634 conductionStrengthCopy = conductionStrengthCopy-oscStre; 627 (*helper)[i].SetOscillatorStrength(0.) 635 (*helper)[i].SetOscillatorStrength(0.); 628 nullOsc++; 636 nullOsc++; 629 } 637 } 630 else //this is passed only once - no goto << 638 else //this is passed only once - no goto - 631 { 639 { 632 quit = true; 640 quit = true; 633 (*helper)[i].SetOscillatorStrength(osc 641 (*helper)[i].SetOscillatorStrength(oscStre-conductionStrengthCopy); 634 if (std::fabs((*helper)[i].GetOscillat 642 if (std::fabs((*helper)[i].GetOscillatorStrength()) < 1e-12) 635 { 643 { 636 conductionStrength += (*helper)[i].GetOs << 644 conductionStrength += (*helper)[i].GetOscillatorStrength(); 637 (*helper)[i].SetOscillatorStrength(0.); 645 (*helper)[i].SetOscillatorStrength(0.); 638 nullOsc++; 646 nullOsc++; 639 } 647 } 640 } 648 } 641 } 649 } >> 650 642 //Update conduction band 651 //Update conduction band 643 (*helper)[0].SetOscillatorStrength(condu 652 (*helper)[0].SetOscillatorStrength(conductionStrength); 644 (*helper)[0].SetIonisationEnergy(0.); 653 (*helper)[0].SetIonisationEnergy(0.); 645 (*helper)[0].SetResonanceEnergy(plasmaEn 654 (*helper)[0].SetResonanceEnergy(plasmaEnergy); 646 G4double hartree = 0.75/std::sqrt(3.0*pi 655 G4double hartree = 0.75/std::sqrt(3.0*pi*pi*moleculeDensity* 647 Bohr_radius*Bohr_radius*Bohr_radius* 656 Bohr_radius*Bohr_radius*Bohr_radius*conductionStrength); 648 (*helper)[0].SetHartreeFactor(hartree/fi << 657 (*helper)[0].SetHartreeFactor(hartree/fine_structure_const); 649 } 658 } 650 659 651 //Check f-sum rule 660 //Check f-sum rule 652 G4double sum = 0; 661 G4double sum = 0; 653 for (std::size_t i=0;i<helper->size();++i) << 662 for (size_t i=0;i<helper->size();i++) 654 { 663 { 655 sum += (*helper)[i].GetOscillatorStrengt 664 sum += (*helper)[i].GetOscillatorStrength(); 656 } 665 } 657 if (std::fabs(sum-totalZ) > (1e-6*totalZ)) 666 if (std::fabs(sum-totalZ) > (1e-6*totalZ)) 658 { 667 { 659 G4ExceptionDescription ed; 668 G4ExceptionDescription ed; 660 ed << "Inconsistent oscillator data for 669 ed << "Inconsistent oscillator data for " << material->GetName() << G4endl; 661 ed << sum << " " << totalZ << G4endl; 670 ed << sum << " " << totalZ << G4endl; 662 G4Exception("G4PenelopeOscillatorManager 671 G4Exception("G4PenelopeOscillatorManager::BuildOscillatorTable()", 663 "em2036",FatalException,ed); 672 "em2036",FatalException,ed); 664 } 673 } 665 if (std::fabs(sum-totalZ) > (1e-12*totalZ)) 674 if (std::fabs(sum-totalZ) > (1e-12*totalZ)) 666 { 675 { 667 G4double fact = totalZ/sum; 676 G4double fact = totalZ/sum; 668 for (std::size_t i=0;i<helper->size();++ << 677 for (size_t i=0;i<helper->size();i++) 669 { 678 { 670 G4double ff = (*helper)[i].GetOscillatorSt 679 G4double ff = (*helper)[i].GetOscillatorStrength()*fact; 671 (*helper)[i].SetOscillatorStrength(ff); << 680 (*helper)[i].SetOscillatorStrength(ff); 672 } 681 } 673 } 682 } 674 683 675 //Remove null items 684 //Remove null items 676 for (G4int k=0;k<nullOsc;k++) 685 for (G4int k=0;k<nullOsc;k++) 677 { << 686 { 678 G4bool exit=false; 687 G4bool exit=false; 679 for (std::size_t i=0;i<helper->size() && << 688 for (size_t i=0;i<helper->size() && !exit;i++) 680 { 689 { 681 if (std::fabs((*helper)[i].GetOscillatorSt 690 if (std::fabs((*helper)[i].GetOscillatorStrength()) < 1e-12) 682 { 691 { 683 helper->erase(helper->begin()+i); 692 helper->erase(helper->begin()+i); 684 exit = true; 693 exit = true; 685 } 694 } 686 } 695 } 687 } 696 } 688 697 689 //Sternheimer's adjustment factor 698 //Sternheimer's adjustment factor 690 G4double adjustmentFactor = 0; << 699 G4double adjustmentFactor = 0; 691 if (helper->size() > 1) 700 if (helper->size() > 1) 692 { 701 { 693 G4double TST = totalZ*G4Log(meanExcitati << 702 G4double TST = totalZ*std::log(meanExcitationEnergy/eV); 694 G4double AALow = 0.1; 703 G4double AALow = 0.1; 695 G4double AAHigh = 10.; 704 G4double AAHigh = 10.; 696 do 705 do 697 { 706 { 698 adjustmentFactor = (AALow+AAHigh)*0.5; 707 adjustmentFactor = (AALow+AAHigh)*0.5; 699 G4double sumLocal = 0; 708 G4double sumLocal = 0; 700 for (std::size_t i=0;i<helper->size();++i) << 709 for (size_t i=0;i<helper->size();i++) 701 { 710 { 702 if (i == 0 && isAConductor) << 711 if (i == 0 && isAConductor) 703 { 712 { 704 G4double resEne = (*helper)[i].GetResona 713 G4double resEne = (*helper)[i].GetResonanceEnergy(); 705 sumLocal += (*helper)[i].GetOscillatorSt << 714 sumLocal += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV); 706 } 715 } 707 else 716 else 708 { 717 { 709 G4double ionEne = (*helper)[i].GetIonisa 718 G4double ionEne = (*helper)[i].GetIonisationEnergy(); 710 G4double oscStre = (*helper)[i].GetOscil 719 G4double oscStre = (*helper)[i].GetOscillatorStrength(); 711 G4double WI2 = (adjustmentFactor*adjustm << 720 G4double WI2 = (adjustmentFactor*adjustmentFactor*ionEne*ionEne) + 712 2./3.*(oscStre/totalZ)*Omega*Omega; 721 2./3.*(oscStre/totalZ)*Omega*Omega; 713 G4double resEne = std::sqrt(WI2); 722 G4double resEne = std::sqrt(WI2); 714 (*helper)[i].SetResonanceEnergy(resEne); << 723 (*helper)[i].SetResonanceEnergy(resEne); 715 sumLocal += (*helper)[i].GetOscillatorS << 724 sumLocal += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV); 716 } << 725 } 717 } 726 } 718 if (sumLocal < TST) 727 if (sumLocal < TST) 719 AALow = adjustmentFactor; 728 AALow = adjustmentFactor; 720 else 729 else 721 AAHigh = adjustmentFactor; 730 AAHigh = adjustmentFactor; 722 if (fVerbosityLevel > 3) << 731 if (verbosityLevel > 3) 723 G4cout << "Sternheimer's adjustment fact << 732 G4cout << "Sternheimer's adjustment factor loops: " << AALow << " " << AAHigh << " " << 724 adjustmentFactor << " " << TST << " " << 733 adjustmentFactor << " " << TST << " " << 725 sumLocal << G4endl; 734 sumLocal << G4endl; 726 }while((AAHigh-AALow)>(1e-14*adjustmentFacto << 735 }while((AAHigh-AALow)>(1e-14*adjustmentFactor)); 727 } 736 } 728 else 737 else 729 { 738 { 730 G4double ionEne = (*helper)[0].GetIonisa 739 G4double ionEne = (*helper)[0].GetIonisationEnergy(); 731 (*helper)[0].SetIonisationEnergy(std::fa 740 (*helper)[0].SetIonisationEnergy(std::fabs(ionEne)); 732 (*helper)[0].SetResonanceEnergy(meanExci 741 (*helper)[0].SetResonanceEnergy(meanExcitationEnergy); 733 } 742 } 734 if (fVerbosityLevel > 1) << 743 if (verbosityLevel > 1) 735 { 744 { 736 G4cout << "Sternheimer's adjustment fact 745 G4cout << "Sternheimer's adjustment factor: " << adjustmentFactor << G4endl; 737 } 746 } 738 747 739 //Check again for data consistency 748 //Check again for data consistency 740 G4double xcheck = (*helper)[0].GetOscillator << 749 G4double xcheck = (*helper)[0].GetOscillatorStrength()*std::log((*helper)[0].GetResonanceEnergy()); 741 G4double TST = (*helper)[0].GetOscillatorStr << 750 G4double TST = (*helper)[0].GetOscillatorStrength(); 742 for (std::size_t i=1;i<helper->size();++i) << 751 for (size_t i=1;i<helper->size();i++) 743 { 752 { 744 xcheck += (*helper)[i].GetOscillatorStre << 753 xcheck += (*helper)[i].GetOscillatorStrength()*std::log((*helper)[i].GetResonanceEnergy()); 745 TST += (*helper)[i].GetOscillatorStrengt 754 TST += (*helper)[i].GetOscillatorStrength(); 746 } 755 } 747 if (std::fabs(TST-totalZ)>1e-8*totalZ) 756 if (std::fabs(TST-totalZ)>1e-8*totalZ) 748 { 757 { 749 G4ExceptionDescription ed; 758 G4ExceptionDescription ed; 750 ed << "Inconsistent oscillator data " << 759 ed << "Inconsistent oscillator data " << G4endl; 751 ed << TST << " " << totalZ << G4endl; 760 ed << TST << " " << totalZ << G4endl; 752 G4Exception("G4PenelopeOscillatorManager 761 G4Exception("G4PenelopeOscillatorManager::BuildOscillatorTable()", 753 "em2036",FatalException,ed); 762 "em2036",FatalException,ed); 754 } 763 } 755 xcheck = G4Exp(xcheck/totalZ); << 764 xcheck = std::exp(xcheck/totalZ); 756 if (std::fabs(xcheck-meanExcitationEnergy) > 765 if (std::fabs(xcheck-meanExcitationEnergy) > 1e-8*meanExcitationEnergy) 757 { 766 { 758 G4ExceptionDescription ed; 767 G4ExceptionDescription ed; 759 ed << "Error in Sterheimer factor calcul 768 ed << "Error in Sterheimer factor calculation " << G4endl; 760 ed << xcheck/eV << " " << meanExcitation 769 ed << xcheck/eV << " " << meanExcitationEnergy/eV << G4endl; 761 G4Exception("G4PenelopeOscillatorManager 770 G4Exception("G4PenelopeOscillatorManager::BuildOscillatorTable()", 762 "em2037",FatalException,ed); << 771 "em2037",FatalException,ed); 763 } 772 } 764 773 765 //Selection of the lowest ionisation energy << 774 //Selection of the lowest ionisation energy for inner shells. Only the K, L and M shells with 766 //ionisation energy less than the N1 shell o << 775 //ionisation energy less than the N1 shell of the heaviest element in the material are considered as 767 //inner shells. As a results, the inner/oute << 776 //inner shells. As a results, the inner/outer shell character of an atomic shell depends on the 768 //composition of the material. 777 //composition of the material. 769 G4double Zmax = 0; 778 G4double Zmax = 0; 770 for (G4int k=0;k<nElements;k++) 779 for (G4int k=0;k<nElements;k++) 771 { 780 { 772 G4double Z = (*elementVector)[k]->GetZ() 781 G4double Z = (*elementVector)[k]->GetZ(); 773 if (Z>Zmax) Zmax = Z; 782 if (Z>Zmax) Zmax = Z; 774 } 783 } 775 //Find N1 level of the heaviest element (if 784 //Find N1 level of the heaviest element (if any). 776 G4bool found = false; 785 G4bool found = false; 777 G4double cutEnergy = 50*eV; 786 G4double cutEnergy = 50*eV; 778 for (std::size_t i=0;i<helper->size() && !fo << 787 for (size_t i=0;i<helper->size() && !found;i++) 779 { 788 { 780 G4double Z = (*helper)[i].GetParentZ(); 789 G4double Z = (*helper)[i].GetParentZ(); 781 G4int shID = (*helper)[i].GetParentShell 790 G4int shID = (*helper)[i].GetParentShellID(); //look for the N1 level 782 if (shID == 10 && Z == Zmax) 791 if (shID == 10 && Z == Zmax) 783 { 792 { 784 found = true; 793 found = true; 785 if ((*helper)[i].GetIonisationEnergy() > c 794 if ((*helper)[i].GetIonisationEnergy() > cutEnergy) 786 cutEnergy = (*helper)[i].GetIonisationEn 795 cutEnergy = (*helper)[i].GetIonisationEnergy(); 787 } 796 } 788 } 797 } 789 //Make that cutEnergy cannot be higher than << 798 //Make that cutEnergy cannot be higher than 250 eV, namely the fluorescence level by 790 //Geant4 799 //Geant4 791 G4double lowEnergyLimitForFluorescence = 250 800 G4double lowEnergyLimitForFluorescence = 250*eV; 792 cutEnergy = std::min(cutEnergy,lowEnergyLimi 801 cutEnergy = std::min(cutEnergy,lowEnergyLimitForFluorescence); 793 802 794 if (fVerbosityLevel > 1) << 803 if (verbosityLevel > 1) 795 G4cout << "Cutoff energy: " << cutEnergy 804 G4cout << "Cutoff energy: " << cutEnergy/eV << " eV" << G4endl; >> 805 796 // 806 // 797 //Copy helper in the oscillatorTable for Ion 807 //Copy helper in the oscillatorTable for Ionisation 798 // 808 // 799 //Oscillator table Ionisation for the materi 809 //Oscillator table Ionisation for the material 800 G4PenelopeOscillatorTable* theTable = new G4 810 G4PenelopeOscillatorTable* theTable = new G4PenelopeOscillatorTable(); //vector of oscillator 801 G4PenelopeOscillatorResEnergyComparator comp 811 G4PenelopeOscillatorResEnergyComparator comparator; 802 std::sort(helper->begin(),helper->end(),comp 812 std::sort(helper->begin(),helper->end(),comparator); 803 813 804 //COPY THE HELPER (vector of object) to theT << 814 //COPY THE HELPER (vector of object) to theTable (vector of Pointers). 805 for (std::size_t i=0;i<helper->size();++i) << 815 for (size_t i=0;i<helper->size();i++) 806 { 816 { 807 //copy content --> one may need it later << 817 //copy content --> one may need it later (e.g. to fill an other table, with variations) 808 G4PenelopeOscillator* theOsc = new G4Pen 818 G4PenelopeOscillator* theOsc = new G4PenelopeOscillator((*helper)[i]); 809 theTable->push_back(theOsc); 819 theTable->push_back(theOsc); 810 } 820 } 811 821 812 //Oscillators of outer shells with resonance 822 //Oscillators of outer shells with resonance energies differing by a factor less than 813 //Rgroup are grouped as a single oscillator << 823 //Rgroup are grouped as a single oscillator 814 G4double Rgroup = 1.05; << 824 G4double Rgroup = 1.05; 815 std::size_t Nost = theTable->size(); << 825 size_t Nost = theTable->size(); 816 << 826 817 std::size_t firstIndex = (isAConductor) ? 1 << 827 size_t firstIndex = (isAConductor) ? 1 : 0; //for conductors, skip conduction oscillator 818 G4bool loopAgain = false; 828 G4bool loopAgain = false; 819 G4int nLoops = 0; << 820 G4int removedLevels = 0; 829 G4int removedLevels = 0; 821 do 830 do 822 { << 831 { 823 loopAgain = false; 832 loopAgain = false; 824 nLoops++; << 825 if (Nost>firstIndex+1) 833 if (Nost>firstIndex+1) 826 { << 834 { 827 removedLevels = 0; 835 removedLevels = 0; 828 for (std::size_t i=firstIndex;i<theTable-> << 836 for (size_t i=firstIndex;i<theTable->size()-1;i++) 829 { 837 { 830 G4bool skipLoop = false; 838 G4bool skipLoop = false; 831 G4int shellFlag = (*theTable)[i]->GetS 839 G4int shellFlag = (*theTable)[i]->GetShellFlag(); 832 G4double ionEne = (*theTable)[i]->GetI 840 G4double ionEne = (*theTable)[i]->GetIonisationEnergy(); 833 G4double resEne = (*theTable)[i]->GetR 841 G4double resEne = (*theTable)[i]->GetResonanceEnergy(); 834 G4double resEnePlus1 = (*theTable)[i+1 << 842 G4double resEnePlus1 = (*theTable)[i+1]->GetResonanceEnergy(); 835 G4double oscStre = (*theTable)[i]->Get 843 G4double oscStre = (*theTable)[i]->GetOscillatorStrength(); 836 G4double oscStrePlus1 = (*theTable)[i+ 844 G4double oscStrePlus1 = (*theTable)[i+1]->GetOscillatorStrength(); 837 //if (shellFlag < 10 && ionEne>cutEner 845 //if (shellFlag < 10 && ionEne>cutEnergy) in Penelope 838 if (ionEne>cutEnergy) //remove conditi 846 if (ionEne>cutEnergy) //remove condition that shellFlag < 10! 839 skipLoop = true; 847 skipLoop = true; 840 if (resEne<1.0*eV || resEnePlus1<1.0*e 848 if (resEne<1.0*eV || resEnePlus1<1.0*eV) 841 skipLoop = true; 849 skipLoop = true; 842 if (resEnePlus1 > Rgroup*resEne) 850 if (resEnePlus1 > Rgroup*resEne) 843 skipLoop = true; 851 skipLoop = true; 844 if (!skipLoop) 852 if (!skipLoop) 845 { 853 { 846 G4double newRes = G4Exp((oscStre*G4Log(r << 854 G4double newRes = std::exp((oscStre*std::log(resEne)+ 847 oscStrePlus1*G4Log(resEnePlus1 << 855 oscStrePlus1*std::log(resEnePlus1)) 848 /(oscStre+oscStrePlus1)); 856 /(oscStre+oscStrePlus1)); 849 (*theTable)[i]->SetResonanceEnergy(newRe 857 (*theTable)[i]->SetResonanceEnergy(newRes); 850 G4double newIon = (oscStre*ionEne+ 858 G4double newIon = (oscStre*ionEne+ 851 oscStrePlus1*(*theTable)[i+1]->Ge 859 oscStrePlus1*(*theTable)[i+1]->GetIonisationEnergy())/ 852 (oscStre+oscStrePlus1); 860 (oscStre+oscStrePlus1); 853 (*theTable)[i]->SetIonisationEnergy(newI 861 (*theTable)[i]->SetIonisationEnergy(newIon); 854 G4double newStre = oscStre+oscStrePlus1; 862 G4double newStre = oscStre+oscStrePlus1; 855 (*theTable)[i]->SetOscillatorStrength(ne 863 (*theTable)[i]->SetOscillatorStrength(newStre); 856 G4double newHartree = (oscStre*(*theTabl 864 G4double newHartree = (oscStre*(*theTable)[i]->GetHartreeFactor()+ 857 oscStrePlus1*(*theTable)[i+1]->GetH 865 oscStrePlus1*(*theTable)[i+1]->GetHartreeFactor())/ 858 (oscStre+oscStrePlus1); 866 (oscStre+oscStrePlus1); 859 (*theTable)[i]->SetHartreeFactor(newHart 867 (*theTable)[i]->SetHartreeFactor(newHartree); 860 if ((*theTable)[i]->GetParentZ() != (*th 868 if ((*theTable)[i]->GetParentZ() != (*theTable)[i+1]->GetParentZ()) 861 (*theTable)[i]->SetParentZ(0.); 869 (*theTable)[i]->SetParentZ(0.); 862 if (shellFlag < 10 || (*theTable)[i+1]-> 870 if (shellFlag < 10 || (*theTable)[i+1]->GetShellFlag() < 10) 863 { 871 { 864 G4int newFlag = std::min(shellFlag,( 872 G4int newFlag = std::min(shellFlag,(*theTable)[i+1]->GetShellFlag()); 865 (*theTable)[i]->SetShellFlag(newFlag << 873 (*theTable)[i]->SetShellFlag(newFlag); 866 } 874 } 867 else 875 else 868 (*theTable)[i]->SetShellFlag(30); 876 (*theTable)[i]->SetShellFlag(30); 869 //We've lost anyway the track of the ori 877 //We've lost anyway the track of the original level 870 (*theTable)[i]->SetParentShellID((*theTa 878 (*theTable)[i]->SetParentShellID((*theTable)[i]->GetShellFlag()); 871 879 872 << 880 873 if (i<theTable->size()-2) 881 if (i<theTable->size()-2) 874 { 882 { 875 for (std::size_t ii=i+1;ii<theTable- << 883 for (size_t ii=i+1;ii<theTable->size()-1;ii++) 876 (*theTable)[ii] = (*theTable)[ii+1]; << 884 (*theTable)[ii] = (*theTable)[ii+1]; 877 } 885 } 878 //G4cout << theTable->size() << G4endl; 886 //G4cout << theTable->size() << G4endl; 879 theTable->erase(theTable->begin()+theTab << 887 theTable->erase(theTable->begin()+theTable->size()-1); //delete last element 880 removedLevels++; 888 removedLevels++; 881 } << 889 } 882 } 890 } 883 } 891 } 884 if (removedLevels) 892 if (removedLevels) 885 { 893 { 886 Nost -= removedLevels; 894 Nost -= removedLevels; 887 loopAgain = true; 895 loopAgain = true; 888 } 896 } 889 if (Rgroup < 1.414213 || Nost > 64) 897 if (Rgroup < 1.414213 || Nost > 64) 890 { 898 { 891 Rgroup = Rgroup*Rgroup; 899 Rgroup = Rgroup*Rgroup; 892 loopAgain = true; 900 loopAgain = true; 893 } 901 } 894 //Add protection against infinite loops << 895 if (nLoops > 100 && !removedLevels) << 896 loopAgain = false; << 897 }while(loopAgain); 902 }while(loopAgain); 898 903 899 if (fVerbosityLevel > 1) << 904 if (verbosityLevel > 1) 900 { 905 { 901 G4cout << "Final grouping factor for Ion 906 G4cout << "Final grouping factor for Ionisation: " << Rgroup << G4endl; 902 } 907 } 903 908 904 //Final Electron/Positron model parameters 909 //Final Electron/Positron model parameters 905 for (std::size_t i=0;i<theTable->size();++i) << 910 for (size_t i=0;i<theTable->size();i++) 906 { 911 { 907 //Set cutoff recoil energy for the reson 912 //Set cutoff recoil energy for the resonant mode 908 G4double ionEne = (*theTable)[i]->GetIon 913 G4double ionEne = (*theTable)[i]->GetIonisationEnergy(); 909 if (ionEne < 1e-3*eV) 914 if (ionEne < 1e-3*eV) 910 { 915 { 911 G4double resEne = (*theTable)[i]->GetReson 916 G4double resEne = (*theTable)[i]->GetResonanceEnergy(); 912 (*theTable)[i]->SetIonisationEnergy(0.*eV) 917 (*theTable)[i]->SetIonisationEnergy(0.*eV); 913 (*theTable)[i]->SetCutoffRecoilResonantEne 918 (*theTable)[i]->SetCutoffRecoilResonantEnergy(resEne); 914 } 919 } 915 else 920 else 916 (*theTable)[i]->SetCutoffRecoilResonantEnerg << 921 (*theTable)[i]->SetCutoffRecoilResonantEnergy(ionEne); 917 } 922 } 918 << 923 919 //Last step 924 //Last step 920 fOscillatorStoreIonisation->insert(std::make << 925 oscillatorStoreIonisation->insert(std::make_pair(material,theTable)); 921 926 922 /****************************************** << 927 >> 928 /* 923 SAME FOR COMPTON 929 SAME FOR COMPTON 924 ******************************************/ << 930 */ 925 // 931 // 926 //Copy helper in the oscillatorTable for Com 932 //Copy helper in the oscillatorTable for Compton 927 // 933 // 928 //Oscillator table Ionisation for the materi 934 //Oscillator table Ionisation for the material 929 G4PenelopeOscillatorTable* theTableC = new G 935 G4PenelopeOscillatorTable* theTableC = new G4PenelopeOscillatorTable(); //vector of oscillator 930 //order by ionisation energy 936 //order by ionisation energy 931 std::sort(helper->begin(),helper->end()); 937 std::sort(helper->begin(),helper->end()); 932 //COPY THE HELPER (vector of object) to theT << 938 //COPY THE HELPER (vector of object) to theTable (vector of Pointers). 933 for (std::size_t i=0;i<helper->size();++i) << 939 for (size_t i=0;i<helper->size();i++) 934 { 940 { 935 //copy content --> one may need it later << 941 //copy content --> one may need it later (e.g. to fill an other table, with variations) 936 G4PenelopeOscillator* theOsc = new G4Pen 942 G4PenelopeOscillator* theOsc = new G4PenelopeOscillator((*helper)[i]); 937 theTableC->push_back(theOsc); 943 theTableC->push_back(theOsc); 938 } << 944 } 939 //Oscillators of outer shells with resonance 945 //Oscillators of outer shells with resonance energies differing by a factor less than 940 //Rgroup are grouped as a single oscillator << 946 //Rgroup are grouped as a single oscillator 941 Rgroup = 1.5; << 947 Rgroup = 1.5; 942 Nost = theTableC->size(); << 948 Nost = theTableC->size(); 943 << 949 944 firstIndex = (isAConductor) ? 1 : 0; //for c 950 firstIndex = (isAConductor) ? 1 : 0; //for conductors, skip conduction oscillator 945 loopAgain = false; 951 loopAgain = false; 946 removedLevels = 0; 952 removedLevels = 0; 947 do 953 do 948 { << 954 { 949 nLoops++; << 950 loopAgain = false; 955 loopAgain = false; 951 if (Nost>firstIndex+1) 956 if (Nost>firstIndex+1) 952 { 957 { 953 removedLevels = 0; 958 removedLevels = 0; 954 for (std::size_t i=firstIndex;i<theTableC- << 959 for (size_t i=firstIndex;i<theTableC->size()-1;i++) 955 { 960 { 956 G4bool skipLoop = false; 961 G4bool skipLoop = false; >> 962 //G4int shellFlag = (*theTableC)[i]->GetShellFlag(); 957 G4double ionEne = (*theTableC)[i]->Get 963 G4double ionEne = (*theTableC)[i]->GetIonisationEnergy(); 958 G4double ionEnePlus1 = (*theTableC)[i+ << 964 G4double ionEnePlus1 = (*theTableC)[i+1]->GetIonisationEnergy(); 959 G4double oscStre = (*theTableC)[i]->Ge 965 G4double oscStre = (*theTableC)[i]->GetOscillatorStrength(); 960 G4double oscStrePlus1 = (*theTableC)[i 966 G4double oscStrePlus1 = (*theTableC)[i+1]->GetOscillatorStrength(); 961 //if (shellFlag < 10 && ionEne>cutEner 967 //if (shellFlag < 10 && ionEne>cutEnergy) in Penelope 962 if (ionEne>cutEnergy) << 968 if (ionEne>cutEnergy) 963 skipLoop = true; 969 skipLoop = true; 964 if (ionEne<1.0*eV || ionEnePlus1<1.0*e 970 if (ionEne<1.0*eV || ionEnePlus1<1.0*eV) 965 skipLoop = true; 971 skipLoop = true; 966 if (ionEnePlus1 > Rgroup*ionEne) 972 if (ionEnePlus1 > Rgroup*ionEne) 967 skipLoop = true; 973 skipLoop = true; 968 << 974 969 if (!skipLoop) 975 if (!skipLoop) 970 { 976 { 971 G4double newIon = (oscStre*ionEne+ 977 G4double newIon = (oscStre*ionEne+ 972 oscStrePlus1*ionEnePlus1)/ 978 oscStrePlus1*ionEnePlus1)/ 973 (oscStre+oscStrePlus1); 979 (oscStre+oscStrePlus1); 974 (*theTableC)[i]->SetIonisationEnergy(new 980 (*theTableC)[i]->SetIonisationEnergy(newIon); 975 G4double newStre = oscStre+oscStrePlus1; 981 G4double newStre = oscStre+oscStrePlus1; 976 (*theTableC)[i]->SetOscillatorStrength(n 982 (*theTableC)[i]->SetOscillatorStrength(newStre); 977 G4double newHartree = (oscStre*(*theTabl 983 G4double newHartree = (oscStre*(*theTableC)[i]->GetHartreeFactor()+ 978 oscStrePlus1*(*theTableC)[i+1]->Get 984 oscStrePlus1*(*theTableC)[i+1]->GetHartreeFactor())/ 979 (oscStre+oscStrePlus1); 985 (oscStre+oscStrePlus1); 980 (*theTableC)[i]->SetHartreeFactor(newHar 986 (*theTableC)[i]->SetHartreeFactor(newHartree); 981 if ((*theTableC)[i]->GetParentZ() != (*t 987 if ((*theTableC)[i]->GetParentZ() != (*theTableC)[i+1]->GetParentZ()) 982 (*theTableC)[i]->SetParentZ(0.); << 988 (*theTableC)[i]->SetParentZ(0.); 983 (*theTableC)[i]->SetShellFlag(30); 989 (*theTableC)[i]->SetShellFlag(30); 984 (*theTableC)[i]->SetParentShellID((*theT 990 (*theTableC)[i]->SetParentShellID((*theTableC)[i]->GetShellFlag()); 985 991 986 if (i<theTableC->size()-2) 992 if (i<theTableC->size()-2) 987 { 993 { 988 for (std::size_t ii=i+1;ii<theTableC << 994 for (size_t ii=i+1;ii<theTableC->size()-1;ii++) 989 (*theTableC)[ii] = (*theTableC)[ii+1]; << 995 (*theTableC)[ii] = (*theTableC)[ii+1]; 990 } 996 } 991 theTableC->erase(theTableC->begin()+theT 997 theTableC->erase(theTableC->begin()+theTableC->size()-1); //delete last element 992 removedLevels++; 998 removedLevels++; 993 } << 999 } 994 } 1000 } 995 } 1001 } 996 if (removedLevels) 1002 if (removedLevels) 997 { 1003 { 998 Nost -= removedLevels; 1004 Nost -= removedLevels; 999 loopAgain = true; 1005 loopAgain = true; 1000 } 1006 } 1001 if (Rgroup < 2.0 || Nost > 64) 1007 if (Rgroup < 2.0 || Nost > 64) 1002 { 1008 { 1003 Rgroup = Rgroup*Rgroup; 1009 Rgroup = Rgroup*Rgroup; 1004 loopAgain = true; 1010 loopAgain = true; 1005 } 1011 } 1006 //Add protection against infinite loops << 1007 if (nLoops > 100 && !removedLevels) << 1008 loopAgain = false; << 1009 }while(loopAgain); 1012 }while(loopAgain); 1010 1013 1011 1014 1012 if (fVerbosityLevel > 1) << 1015 if (verbosityLevel > 1) 1013 { 1016 { 1014 G4cout << "Final grouping factor for Co 1017 G4cout << "Final grouping factor for Compton: " << Rgroup << G4endl; 1015 } 1018 } 1016 1019 1017 //Last step << 1020 //Last step 1018 fOscillatorStoreCompton->insert(std::make_ << 1021 oscillatorStoreCompton->insert(std::make_pair(material,theTableC)); 1019 << 1022 1020 //CLEAN UP theHelper and its content << 1023 /* //TESTING PURPOSES 1021 delete helper; << 1024 if (verbosityLevel > 1) 1022 if (fVerbosityLevel > 1) << 1025 { 1023 Dump(material); << 1026 G4cout << "The table contains " << helper->size() << " oscillators " << G4endl; 1024 << 1027 for (size_t k=0;k<helper->size();k++) >> 1028 { >> 1029 G4cout << "Oscillator # " << k << G4endl; >> 1030 G4cout << "Z = " << (*helper)[k].GetParentZ() << G4endl; >> 1031 G4cout << "Shell Flag = " << (*helper)[k].GetShellFlag() << G4endl; >> 1032 G4cout << "Compton index = " << (*helper)[k].GetHartreeFactor() << G4endl; >> 1033 G4cout << "Ionisation energy = " << (*helper)[k].GetIonisationEnergy()/eV << " eV" << G4endl; >> 1034 G4cout << "Occupation number = " << (*helper)[k].GetOscillatorStrength() << G4endl; >> 1035 G4cout << "Resonance energy = " << (*helper)[k].GetResonanceEnergy()/eV << " eV" << G4endl; >> 1036 } >> 1037 >> 1038 for (size_t k=0;k<helper->size();k++) >> 1039 { >> 1040 G4cout << k << " " << (*helper)[k].GetOscillatorStrength() << " " << >> 1041 (*helper)[k].GetIonisationEnergy()/eV << " " << (*helper)[k].GetResonanceEnergy()/eV << " " << >> 1042 (*helper)[k].GetParentZ() << " " << (*helper)[k].GetShellFlag() << " " << >> 1043 (*helper)[k].GetHartreeFactor() << G4endl; >> 1044 } >> 1045 } >> 1046 */ >> 1047 >> 1048 >> 1049 //CLEAN UP theHelper and its content >> 1050 delete helper; >> 1051 if (verbosityLevel > 1) >> 1052 Dump(material); >> 1053 1025 return; 1054 return; 1026 } 1055 } 1027 1056 1028 //....oooOO0OOooo........oooOO0OOooo........o 1057 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 1029 1058 1030 void G4PenelopeOscillatorManager::ReadElement 1059 void G4PenelopeOscillatorManager::ReadElementData() 1031 { 1060 { 1032 if (fVerbosityLevel > 0) << 1061 if (verbosityLevel > 0) 1033 { 1062 { 1034 G4cout << "G4PenelopeOscillatorManager: 1063 G4cout << "G4PenelopeOscillatorManager::ReadElementData()" << G4endl; 1035 G4cout << "Going to read Element Data" 1064 G4cout << "Going to read Element Data" << G4endl; 1036 } 1065 } 1037 const char* path = G4FindDataDir("G4LEDAT << 1066 char* path = getenv("G4LEDATA"); 1038 if(!path) << 1067 if (!path) 1039 { 1068 { 1040 G4String excep = "G4PenelopeOscillatorM 1069 G4String excep = "G4PenelopeOscillatorManager - G4LEDATA environment variable not set!"; 1041 G4Exception("G4PenelopeOscillatorManage 1070 G4Exception("G4PenelopeOscillatorManager::ReadElementData()", 1042 "em0006",FatalException,excep); 1071 "em0006",FatalException,excep); 1043 return; 1072 return; 1044 } 1073 } 1045 G4String pathString(path); 1074 G4String pathString(path); 1046 G4String pathFile = pathString + "/penelope 1075 G4String pathFile = pathString + "/penelope/pdatconf.p08"; 1047 std::ifstream file(pathFile); 1076 std::ifstream file(pathFile); 1048 1077 1049 if (!file.is_open()) 1078 if (!file.is_open()) 1050 { 1079 { 1051 G4String excep = "G4PenelopeOscillatorM 1080 G4String excep = "G4PenelopeOscillatorManager - data file " + pathFile + " not found!"; 1052 G4Exception("G4PenelopeOscillatorManage 1081 G4Exception("G4PenelopeOscillatorManager::ReadElementData()", 1053 "em0003",FatalException,excep); 1082 "em0003",FatalException,excep); 1054 } 1083 } 1055 1084 1056 G4AtomicTransitionManager* theTransitionMan << 1085 G4AtomicTransitionManager* theTransitionManager = 1057 G4AtomicTransitionManager::Instance(); 1086 G4AtomicTransitionManager::Instance(); 1058 theTransitionManager->Initialise(); << 1087 theTransitionManager->Initialise(); >> 1088 1059 1089 1060 //Read header (22 lines) 1090 //Read header (22 lines) 1061 G4String theHeader; 1091 G4String theHeader; 1062 for (G4int iline=0;iline<22;iline++) 1092 for (G4int iline=0;iline<22;iline++) 1063 getline(file,theHeader); 1093 getline(file,theHeader); 1064 //Done 1094 //Done 1065 G4int Z=0; 1095 G4int Z=0; 1066 G4int shellCode = 0; 1096 G4int shellCode = 0; 1067 G4String shellId = "NULL"; 1097 G4String shellId = "NULL"; 1068 G4int occupationNumber = 0; 1098 G4int occupationNumber = 0; 1069 G4double ionisationEnergy = 0.0*eV; 1099 G4double ionisationEnergy = 0.0*eV; 1070 G4double hartreeProfile = 0.; 1100 G4double hartreeProfile = 0.; 1071 G4int shellCounter = 0; 1101 G4int shellCounter = 0; 1072 G4int oldZ = -1; 1102 G4int oldZ = -1; 1073 G4int numberOfShells = 0; 1103 G4int numberOfShells = 0; 1074 //Start reading data 1104 //Start reading data 1075 for (G4int i=0;!file.eof();i++) 1105 for (G4int i=0;!file.eof();i++) 1076 { 1106 { 1077 file >> Z >> shellCode >> shellId >> oc 1107 file >> Z >> shellCode >> shellId >> occupationNumber >> ionisationEnergy >> hartreeProfile; 1078 if (Z>0 && i<2000) 1108 if (Z>0 && i<2000) 1079 { 1109 { 1080 fElementData[0][i] = Z; << 1110 elementData[0][i] = Z; 1081 fElementData[1][i] = shellCode; << 1111 elementData[1][i] = shellCode; 1082 fElementData[2][i] = occupationNumber; << 1112 elementData[2][i] = occupationNumber; 1083 //reset things 1113 //reset things 1084 if (Z != oldZ) 1114 if (Z != oldZ) 1085 { 1115 { 1086 shellCounter = 0; 1116 shellCounter = 0; 1087 oldZ = Z; 1117 oldZ = Z; 1088 numberOfShells = theTransitionManager 1118 numberOfShells = theTransitionManager->NumberOfShells(Z); 1089 } 1119 } 1090 G4double bindingEnergy = -1*eV; 1120 G4double bindingEnergy = -1*eV; 1091 if (shellCounter<numberOfShells) 1121 if (shellCounter<numberOfShells) 1092 { 1122 { 1093 G4AtomicShell* shell = theTransitionM 1123 G4AtomicShell* shell = theTransitionManager->Shell(Z,shellCounter); 1094 bindingEnergy = shell->BindingEnergy( << 1124 bindingEnergy = shell->BindingEnergy(); 1095 } 1125 } 1096 //Valid level found in the G4AtomicTransi << 1126 //Valid level found in the G4AtomicTransition database: keep it, otherwise use 1097 //the ionisation energy found in the Pene << 1127 //the ionisation energy found in the Penelope database 1098 fElementData[3][i] = (bindingEnergy>100*e << 1128 elementData[3][i] = (bindingEnergy>100*eV) ? bindingEnergy : ionisationEnergy*eV; 1099 fElementData[4][i] = hartreeProfile; << 1129 //elementData[3][i] = ionisationEnergy*eV; >> 1130 elementData[4][i] = hartreeProfile; 1100 shellCounter++; 1131 shellCounter++; 1101 } 1132 } 1102 } 1133 } 1103 file.close(); 1134 file.close(); 1104 << 1135 1105 if (fVerbosityLevel > 1) << 1136 if (verbosityLevel > 1) 1106 { 1137 { 1107 G4cout << "G4PenelopeOscillatorManager: 1138 G4cout << "G4PenelopeOscillatorManager::ReadElementData(): Data file read" << G4endl; 1108 } 1139 } 1109 fReadElementData = true; 1140 fReadElementData = true; 1110 return; 1141 return; >> 1142 1111 } 1143 } 1112 1144 1113 //....oooOO0OOooo........oooOO0OOooo........o 1145 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 1114 G4double G4PenelopeOscillatorManager::GetMean 1146 G4double G4PenelopeOscillatorManager::GetMeanExcitationEnergy(const G4Material* mat) 1115 { 1147 { 1116 // (1) First time, create fOscillatorStores << 1148 // (1) First time, create oscillatorStores and read data 1117 CheckForTablesCreated(); 1149 CheckForTablesCreated(); 1118 1150 1119 // (2) Check if the material has been alrea 1151 // (2) Check if the material has been already included 1120 if (fExcitationEnergy->count(mat)) << 1152 if (excitationEnergy->count(mat)) 1121 return fExcitationEnergy->find(mat)->seco << 1153 return excitationEnergy->find(mat)->second; 1122 << 1154 1123 // (3) If we are here, it means that we hav 1155 // (3) If we are here, it means that we have to create the table for the material 1124 BuildOscillatorTable(mat); 1156 BuildOscillatorTable(mat); 1125 1157 1126 // (4) now, the oscillator store should be 1158 // (4) now, the oscillator store should be ok 1127 if (fExcitationEnergy->count(mat)) << 1159 if (excitationEnergy->count(mat)) 1128 return fExcitationEnergy->find(mat)->seco << 1160 return excitationEnergy->find(mat)->second; 1129 else 1161 else 1130 { 1162 { 1131 G4cout << "G4PenelopeOscillatorManager: 1163 G4cout << "G4PenelopeOscillatorManager::GetMolecularExcitationEnergy() " << G4endl; 1132 G4cout << "Impossible to retrieve the e << 1164 G4cout << "Impossible to retrieve the excitation energy for " << mat->GetName() << G4endl; 1133 return 0; 1165 return 0; 1134 } 1166 } 1135 } 1167 } 1136 1168 1137 //....oooOO0OOooo........oooOO0OOooo........o 1169 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 1138 G4double G4PenelopeOscillatorManager::GetPlas 1170 G4double G4PenelopeOscillatorManager::GetPlasmaEnergySquared(const G4Material* mat) 1139 { 1171 { 1140 // (1) First time, create fOscillatorStores << 1172 // (1) First time, create oscillatorStores and read data 1141 CheckForTablesCreated(); 1173 CheckForTablesCreated(); 1142 1174 1143 // (2) Check if the material has been alrea 1175 // (2) Check if the material has been already included 1144 if (fPlasmaSquared->count(mat)) << 1176 if (plasmaSquared->count(mat)) 1145 return fPlasmaSquared->find(mat)->second; << 1177 return plasmaSquared->find(mat)->second; 1146 << 1178 1147 // (3) If we are here, it means that we hav 1179 // (3) If we are here, it means that we have to create the table for the material 1148 BuildOscillatorTable(mat); 1180 BuildOscillatorTable(mat); 1149 1181 1150 // (4) now, the oscillator store should be 1182 // (4) now, the oscillator store should be ok 1151 if (fPlasmaSquared->count(mat)) << 1183 if (plasmaSquared->count(mat)) 1152 return fPlasmaSquared->find(mat)->second; << 1184 return plasmaSquared->find(mat)->second; 1153 else 1185 else 1154 { 1186 { 1155 G4cout << "G4PenelopeOscillatorManager: 1187 G4cout << "G4PenelopeOscillatorManager::GetPlasmaEnergySquared() " << G4endl; 1156 G4cout << "Impossible to retrieve the p << 1188 G4cout << "Impossible to retrieve the plasma energy for " << mat->GetName() << G4endl; 1157 return 0; 1189 return 0; 1158 } 1190 } 1159 } 1191 } 1160 1192 1161 //....oooOO0OOooo........oooOO0OOooo........o 1193 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 1162 1194 1163 G4double G4PenelopeOscillatorManager::GetAtom 1195 G4double G4PenelopeOscillatorManager::GetAtomsPerMolecule(const G4Material* mat) 1164 { 1196 { 1165 // (1) First time, create fOscillatorStores << 1197 // (1) First time, create oscillatorStores and read data 1166 CheckForTablesCreated(); 1198 CheckForTablesCreated(); 1167 1199 1168 // (2) Check if the material has been alrea 1200 // (2) Check if the material has been already included 1169 if (fAtomsPerMolecule->count(mat)) << 1201 if (atomsPerMolecule->count(mat)) 1170 return fAtomsPerMolecule->find(mat)->seco << 1202 return atomsPerMolecule->find(mat)->second; 1171 << 1203 1172 // (3) If we are here, it means that we hav 1204 // (3) If we are here, it means that we have to create the table for the material 1173 BuildOscillatorTable(mat); 1205 BuildOscillatorTable(mat); 1174 1206 1175 // (4) now, the oscillator store should be 1207 // (4) now, the oscillator store should be ok 1176 if (fAtomsPerMolecule->count(mat)) << 1208 if (atomsPerMolecule->count(mat)) 1177 return fAtomsPerMolecule->find(mat)->seco << 1209 return atomsPerMolecule->find(mat)->second; 1178 else 1210 else 1179 { 1211 { 1180 G4cout << "G4PenelopeOscillatorManager: 1212 G4cout << "G4PenelopeOscillatorManager::GetAtomsPerMolecule() " << G4endl; 1181 G4cout << "Impossible to retrieve the n << 1213 G4cout << "Impossible to retrieve the number of atoms per molecule for " 1182 << mat->GetName() << G4endl; << 1214 << mat->GetName() << G4endl; 1183 return 0; 1215 return 0; 1184 } 1216 } 1185 } 1217 } 1186 1218 1187 //....oooOO0OOooo........oooOO0OOooo........o 1219 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 1188 1220 1189 G4double G4PenelopeOscillatorManager::GetNumb 1221 G4double G4PenelopeOscillatorManager::GetNumberOfZAtomsPerMolecule(const G4Material* mat,G4int Z) 1190 { 1222 { 1191 // (1) First time, create fOscillatorStores << 1223 // (1) First time, create oscillatorStores and read data 1192 CheckForTablesCreated(); 1224 CheckForTablesCreated(); 1193 1225 1194 // (2) Check if the material/Z couple has b 1226 // (2) Check if the material/Z couple has been already included 1195 std::pair<const G4Material*,G4int> theKey = 1227 std::pair<const G4Material*,G4int> theKey = std::make_pair(mat,Z); 1196 if (fAtomTablePerMolecule->count(theKey)) << 1228 if (atomTablePerMolecule->count(theKey)) 1197 return fAtomTablePerMolecule->find(theKey << 1229 return atomTablePerMolecule->find(theKey)->second; 1198 << 1230 1199 // (3) If we are here, it means that we hav 1231 // (3) If we are here, it means that we have to create the table for the material 1200 BuildOscillatorTable(mat); 1232 BuildOscillatorTable(mat); 1201 1233 1202 // (4) now, the oscillator store should be 1234 // (4) now, the oscillator store should be ok 1203 if (fAtomTablePerMolecule->count(theKey)) << 1235 if (atomTablePerMolecule->count(theKey)) 1204 return fAtomTablePerMolecule->find(theKey << 1236 return atomTablePerMolecule->find(theKey)->second; 1205 else 1237 else 1206 { 1238 { 1207 G4cout << "G4PenelopeOscillatorManager: 1239 G4cout << "G4PenelopeOscillatorManager::GetAtomsPerMolecule() " << G4endl; 1208 G4cout << "Impossible to retrieve the n << 1240 G4cout << "Impossible to retrieve the number of atoms per molecule for Z = " 1209 << Z << " in material " << mat->GetNam << 1241 << Z << " in material " << mat->GetName() << G4endl; 1210 return 0; 1242 return 0; 1211 } 1243 } 1212 } 1244 } 1213 1245