1 | // |
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2 | // ******************************************************************** |
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3 | // * License and Disclaimer * |
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4 | // * * |
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6 | // * the Geant4 Collaboration. It is provided under the terms and * |
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7 | // * conditions of the Geant4 Software License, included in the file * |
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8 | // * LICENSE and available at http://cern.ch/geant4/license . These * |
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9 | // * include a list of copyright holders. * |
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10 | // * * |
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11 | // * Neither the authors of this software system, nor their employing * |
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12 | // * institutes,nor the agencies providing financial support for this * |
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13 | // * work make any representation or warranty, express or implied, * |
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14 | // * regarding this software system or assume any liability for its * |
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15 | // * use. Please see the license in the file LICENSE and URL above * |
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16 | // * for the full disclaimer and the limitation of liability. * |
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17 | // * * |
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18 | // * This code implementation is the result of the scientific and * |
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19 | // * technical work of the GEANT4 collaboration. * |
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20 | // * By using, copying, modifying or distributing the software (or * |
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21 | // * any work based on the software) you agree to acknowledge its * |
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22 | // * use in resulting scientific publications, and indicate your * |
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23 | // * acceptance of all terms of the Geant4 Software license. * |
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24 | // ******************************************************************** |
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25 | // |
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26 | // $Id: G4eIonisationSpectrum.cc,v 1.27 2009/06/10 13:32:36 mantero Exp $ |
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27 | // GEANT4 tag $Name: geant4-09-03 $ |
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28 | // |
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29 | // ------------------------------------------------------------------- |
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30 | // |
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31 | // GEANT4 Class file |
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32 | // |
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33 | // |
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34 | // File name: G4eIonisationSpectrum |
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35 | // |
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36 | // Author: V.Ivanchenko (Vladimir.Ivanchenko@cern.ch) |
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37 | // |
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38 | // Creation date: 29 September 2001 |
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39 | // |
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40 | // Modifications: |
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41 | // 10.10.2001 MGP Revision to improve code quality and |
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42 | // consistency with design |
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43 | // 02.11.2001 VI Optimize sampling of energy |
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44 | // 29.11.2001 VI New parametrisation |
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45 | // 19.04.2002 VI Add protection in case of energy below binding |
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46 | // 30.05.2002 VI Update to 24-parameters data |
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47 | // 11.07.2002 VI Fix in integration over spectrum |
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48 | // 23.03.2009 LP Added protection against division by zero (for |
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49 | // faulty database files), Bug Report 1042 |
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50 | // |
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51 | // ------------------------------------------------------------------- |
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52 | // |
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53 | |
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54 | #include "G4eIonisationSpectrum.hh" |
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55 | #include "G4AtomicTransitionManager.hh" |
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56 | #include "G4AtomicShell.hh" |
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57 | #include "G4DataVector.hh" |
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58 | #include "Randomize.hh" |
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59 | |
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60 | |
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61 | G4eIonisationSpectrum::G4eIonisationSpectrum():G4VEnergySpectrum(), |
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62 | lowestE(0.1*eV), |
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63 | factor(1.3), |
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64 | iMax(24), |
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65 | verbose(0) |
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66 | { |
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67 | theParam = new G4eIonisationParameters(); |
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68 | } |
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69 | |
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70 | |
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71 | G4eIonisationSpectrum::~G4eIonisationSpectrum() |
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72 | { |
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73 | delete theParam; |
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74 | } |
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75 | |
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76 | |
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77 | G4double G4eIonisationSpectrum::Probability(G4int Z, |
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78 | G4double tMin, |
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79 | G4double tMax, |
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80 | G4double e, |
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81 | G4int shell, |
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82 | const G4ParticleDefinition* ) const |
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83 | { |
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84 | // Please comment what Probability does and what are the three |
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85 | // functions mentioned below |
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86 | // Describe the algorithms used |
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87 | |
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88 | G4double eMax = MaxEnergyOfSecondaries(e); |
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89 | G4double t0 = std::max(tMin, lowestE); |
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90 | G4double tm = std::min(tMax, eMax); |
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91 | if(t0 >= tm) return 0.0; |
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92 | |
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93 | G4double bindingEnergy = (G4AtomicTransitionManager::Instance())-> |
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94 | Shell(Z, shell)->BindingEnergy(); |
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95 | |
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96 | if(e <= bindingEnergy) return 0.0; |
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97 | |
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98 | G4double energy = e + bindingEnergy; |
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99 | |
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100 | G4double x1 = std::min(0.5,(t0 + bindingEnergy)/energy); |
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101 | G4double x2 = std::min(0.5,(tm + bindingEnergy)/energy); |
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102 | |
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103 | if(verbose > 1 || (Z==4 && e>= 1.0 && e<= 0.0)) { |
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104 | G4cout << "G4eIonisationSpectrum::Probability: Z= " << Z |
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105 | << "; shell= " << shell |
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106 | << "; E(keV)= " << e/keV |
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107 | << "; Eb(keV)= " << bindingEnergy/keV |
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108 | << "; x1= " << x1 |
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109 | << "; x2= " << x2 |
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110 | << G4endl; |
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111 | |
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112 | } |
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113 | |
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114 | G4DataVector p; |
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115 | |
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116 | // Access parameters |
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117 | for (G4int i=0; i<iMax; i++) |
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118 | { |
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119 | G4double x = theParam->Parameter(Z, shell, i, e); |
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120 | if(i<4) x /= energy; |
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121 | p.push_back(x); |
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122 | } |
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123 | |
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124 | if(p[3] > 0.5) p[3] = 0.5; |
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125 | |
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126 | G4double g = energy/electron_mass_c2 + 1.; |
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127 | p.push_back((2.0*g - 1.0)/(g*g)); |
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128 | |
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129 | //Add protection against division by zero: actually in Function() |
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130 | //parameter p[3] appears in the denominator. Bug report 1042 |
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131 | if (p[3] > 0) |
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132 | p[iMax-1] = Function(p[3], p); |
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133 | else |
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134 | { |
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135 | G4cout << "WARNING: G4eIonisationSpectrum::Probability " |
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136 | << "parameter p[3] <= 0. G4LEDATA dabatase might be corrupted for Z = " |
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137 | << Z << ". Please check and/or update it " << G4endl; |
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138 | } |
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139 | |
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140 | if(e >= 1. && e <= 0. && Z == 4) p.push_back(0.0); |
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141 | |
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142 | |
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143 | G4double val = IntSpectrum(x1, x2, p); |
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144 | G4double x0 = (lowestE + bindingEnergy)/energy; |
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145 | G4double nor = IntSpectrum(x0, 0.5, p); |
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146 | |
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147 | if(verbose > 1 || (Z==4 && e>= 1.0 && e<= 0.0)) { |
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148 | G4cout << "tcut= " << tMin |
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149 | << "; tMax= " << tMax |
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150 | << "; x0= " << x0 |
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151 | << "; x1= " << x1 |
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152 | << "; x2= " << x2 |
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153 | << "; val= " << val |
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154 | << "; nor= " << nor |
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155 | << "; sum= " << p[0] |
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156 | << "; a= " << p[1] |
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157 | << "; b= " << p[2] |
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158 | << "; c= " << p[3] |
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159 | << G4endl; |
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160 | if(shell == 1) G4cout << "============" << G4endl; |
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161 | } |
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162 | |
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163 | p.clear(); |
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164 | |
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165 | if(nor > 0.0) val /= nor; |
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166 | else val = 0.0; |
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167 | |
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168 | return val; |
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169 | } |
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170 | |
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171 | |
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172 | G4double G4eIonisationSpectrum::AverageEnergy(G4int Z, |
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173 | G4double tMin, |
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174 | G4double tMax, |
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175 | G4double e, |
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176 | G4int shell, |
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177 | const G4ParticleDefinition* ) const |
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178 | { |
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179 | // Please comment what AverageEnergy does and what are the three |
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180 | // functions mentioned below |
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181 | // Describe the algorithms used |
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182 | |
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183 | G4double eMax = MaxEnergyOfSecondaries(e); |
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184 | G4double t0 = std::max(tMin, lowestE); |
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185 | G4double tm = std::min(tMax, eMax); |
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186 | if(t0 >= tm) return 0.0; |
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187 | |
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188 | G4double bindingEnergy = (G4AtomicTransitionManager::Instance())-> |
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189 | Shell(Z, shell)->BindingEnergy(); |
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190 | |
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191 | if(e <= bindingEnergy) return 0.0; |
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192 | |
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193 | G4double energy = e + bindingEnergy; |
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194 | |
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195 | G4double x1 = std::min(0.5,(t0 + bindingEnergy)/energy); |
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196 | G4double x2 = std::min(0.5,(tm + bindingEnergy)/energy); |
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197 | |
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198 | if(verbose > 1) { |
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199 | G4cout << "G4eIonisationSpectrum::AverageEnergy: Z= " << Z |
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200 | << "; shell= " << shell |
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201 | << "; E(keV)= " << e/keV |
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202 | << "; bindingE(keV)= " << bindingEnergy/keV |
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203 | << "; x1= " << x1 |
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204 | << "; x2= " << x2 |
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205 | << G4endl; |
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206 | } |
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207 | |
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208 | G4DataVector p; |
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209 | |
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210 | // Access parameters |
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211 | for (G4int i=0; i<iMax; i++) |
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212 | { |
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213 | G4double x = theParam->Parameter(Z, shell, i, e); |
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214 | if(i<4) x /= energy; |
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215 | p.push_back(x); |
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216 | } |
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217 | |
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218 | if(p[3] > 0.5) p[3] = 0.5; |
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219 | |
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220 | G4double g = energy/electron_mass_c2 + 1.; |
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221 | p.push_back((2.0*g - 1.0)/(g*g)); |
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222 | |
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223 | |
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224 | //Add protection against division by zero: actually in Function() |
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225 | //parameter p[3] appears in the denominator. Bug report 1042 |
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226 | if (p[3] > 0) |
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227 | p[iMax-1] = Function(p[3], p); |
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228 | else |
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229 | { |
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230 | G4cout << "WARNING: G4eIonisationSpectrum::AverageEnergy " |
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231 | << "parameter p[3] <= 0. G4LEDATA dabatase might be corrupted for Z = " |
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232 | << Z << ". Please check and/or update it " << G4endl; |
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233 | } |
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234 | |
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235 | G4double val = AverageValue(x1, x2, p); |
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236 | G4double x0 = (lowestE + bindingEnergy)/energy; |
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237 | G4double nor = IntSpectrum(x0, 0.5, p); |
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238 | val *= energy; |
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239 | |
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240 | if(verbose > 1) { |
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241 | G4cout << "tcut(MeV)= " << tMin/MeV |
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242 | << "; tMax(MeV)= " << tMax/MeV |
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243 | << "; x0= " << x0 |
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244 | << "; x1= " << x1 |
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245 | << "; x2= " << x2 |
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246 | << "; val= " << val |
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247 | << "; nor= " << nor |
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248 | << "; sum= " << p[0] |
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249 | << "; a= " << p[1] |
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250 | << "; b= " << p[2] |
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251 | << "; c= " << p[3] |
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252 | << G4endl; |
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253 | } |
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254 | |
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255 | p.clear(); |
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256 | |
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257 | if(nor > 0.0) val /= nor; |
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258 | else val = 0.0; |
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259 | |
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260 | return val; |
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261 | } |
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262 | |
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263 | |
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264 | G4double G4eIonisationSpectrum::SampleEnergy(G4int Z, |
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265 | G4double tMin, |
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266 | G4double tMax, |
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267 | G4double e, |
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268 | G4int shell, |
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269 | const G4ParticleDefinition* ) const |
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270 | { |
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271 | // Please comment what SampleEnergy does |
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272 | G4double tDelta = 0.0; |
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273 | G4double t0 = std::max(tMin, lowestE); |
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274 | G4double tm = std::min(tMax, MaxEnergyOfSecondaries(e)); |
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275 | if(t0 > tm) return tDelta; |
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276 | |
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277 | G4double bindingEnergy = (G4AtomicTransitionManager::Instance())-> |
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278 | Shell(Z, shell)->BindingEnergy(); |
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279 | |
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280 | if(e <= bindingEnergy) return 0.0; |
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281 | |
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282 | G4double energy = e + bindingEnergy; |
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283 | |
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284 | G4double x1 = std::min(0.5,(t0 + bindingEnergy)/energy); |
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285 | G4double x2 = std::min(0.5,(tm + bindingEnergy)/energy); |
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286 | if(x1 >= x2) return tDelta; |
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287 | |
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288 | if(verbose > 1) { |
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289 | G4cout << "G4eIonisationSpectrum::SampleEnergy: Z= " << Z |
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290 | << "; shell= " << shell |
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291 | << "; E(keV)= " << e/keV |
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292 | << G4endl; |
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293 | } |
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294 | |
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295 | // Access parameters |
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296 | G4DataVector p; |
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297 | |
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298 | // Access parameters |
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299 | for (G4int i=0; i<iMax; i++) |
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300 | { |
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301 | G4double x = theParam->Parameter(Z, shell, i, e); |
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302 | if(i<4) x /= energy; |
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303 | p.push_back(x); |
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304 | } |
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305 | |
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306 | if(p[3] > 0.5) p[3] = 0.5; |
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307 | |
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308 | G4double g = energy/electron_mass_c2 + 1.; |
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309 | p.push_back((2.0*g - 1.0)/(g*g)); |
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310 | |
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311 | |
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312 | //Add protection against division by zero: actually in Function() |
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313 | //parameter p[3] appears in the denominator. Bug report 1042 |
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314 | if (p[3] > 0) |
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315 | p[iMax-1] = Function(p[3], p); |
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316 | else |
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317 | { |
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318 | G4cout << "WARNING: G4eIonisationSpectrum::SampleSpectrum " |
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319 | << "parameter p[3] <= 0. G4LEDATA dabatase might be corrupted for Z = " |
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320 | << Z << ". Please check and/or update it " << G4endl; |
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321 | } |
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322 | |
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323 | G4double aria1 = 0.0; |
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324 | G4double a1 = std::max(x1,p[1]); |
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325 | G4double a2 = std::min(x2,p[3]); |
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326 | if(a1 < a2) aria1 = IntSpectrum(a1, a2, p); |
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327 | G4double aria2 = 0.0; |
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328 | G4double a3 = std::max(x1,p[3]); |
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329 | G4double a4 = x2; |
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330 | if(a3 < a4) aria2 = IntSpectrum(a3, a4, p); |
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331 | |
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332 | G4double aria = (aria1 + aria2)*G4UniformRand(); |
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333 | G4double amaj, fun, q, x, z1, z2, dx, dx1; |
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334 | |
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335 | //======= First aria to sample ===== |
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336 | |
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337 | if(aria <= aria1) { |
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338 | |
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339 | amaj = p[4]; |
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340 | for (G4int j=5; j<iMax; j++) { |
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341 | if(p[j] > amaj) amaj = p[j]; |
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342 | } |
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343 | |
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344 | a1 = 1./a1; |
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345 | a2 = 1./a2; |
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346 | |
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347 | G4int i; |
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348 | do { |
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349 | |
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350 | x = 1./(a2 + G4UniformRand()*(a1 - a2)); |
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351 | z1 = p[1]; |
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352 | z2 = p[3]; |
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353 | dx = (p[2] - p[1]) / 3.0; |
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354 | dx1= std::exp(std::log(p[3]/p[2]) / 16.0); |
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355 | for (i=4; i<iMax-1; i++) { |
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356 | |
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357 | if (i < 7) { |
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358 | z2 = z1 + dx; |
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359 | } else if(iMax-2 == i) { |
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360 | z2 = p[3]; |
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361 | break; |
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362 | } else { |
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363 | z2 = z1*dx1; |
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364 | } |
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365 | if(x >= z1 && x <= z2) break; |
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366 | z1 = z2; |
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367 | } |
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368 | fun = p[i] + (x - z1) * (p[i+1] - p[i])/(z2 - z1); |
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369 | |
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370 | if(fun > amaj) { |
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371 | G4cout << "WARNING in G4eIonisationSpectrum::SampleEnergy:" |
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372 | << " Majoranta " << amaj |
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373 | << " < " << fun |
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374 | << " in the first aria at x= " << x |
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375 | << G4endl; |
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376 | } |
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377 | |
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378 | q = amaj*G4UniformRand(); |
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379 | |
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380 | } while (q >= fun); |
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381 | |
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382 | //======= Second aria to sample ===== |
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383 | |
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384 | } else { |
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385 | |
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386 | amaj = std::max(p[iMax-1], Function(0.5, p)) * factor; |
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387 | a1 = 1./a3; |
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388 | a2 = 1./a4; |
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389 | |
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390 | do { |
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391 | |
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392 | x = 1./(a2 + G4UniformRand()*(a1 - a2)); |
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393 | fun = Function(x, p); |
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394 | |
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395 | if(fun > amaj) { |
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396 | G4cout << "WARNING in G4eIonisationSpectrum::SampleEnergy:" |
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397 | << " Majoranta " << amaj |
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398 | << " < " << fun |
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399 | << " in the second aria at x= " << x |
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400 | << G4endl; |
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401 | } |
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402 | |
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403 | q = amaj*G4UniformRand(); |
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404 | |
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405 | } while (q >= fun); |
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406 | |
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407 | } |
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408 | |
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409 | p.clear(); |
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410 | |
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411 | tDelta = x*energy - bindingEnergy; |
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412 | |
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413 | if(verbose > 1) { |
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414 | G4cout << "tcut(MeV)= " << tMin/MeV |
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415 | << "; tMax(MeV)= " << tMax/MeV |
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416 | << "; x1= " << x1 |
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417 | << "; x2= " << x2 |
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418 | << "; a1= " << a1 |
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419 | << "; a2= " << a2 |
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420 | << "; x= " << x |
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421 | << "; be= " << bindingEnergy |
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422 | << "; e= " << e |
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423 | << "; tDelta= " << tDelta |
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424 | << G4endl; |
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425 | } |
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426 | |
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427 | |
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428 | return tDelta; |
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429 | } |
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430 | |
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431 | |
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432 | G4double G4eIonisationSpectrum::IntSpectrum(G4double xMin, |
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433 | G4double xMax, |
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434 | const G4DataVector& p) const |
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435 | { |
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436 | // Please comment what IntSpectrum does |
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437 | G4double sum = 0.0; |
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438 | if(xMin >= xMax) return sum; |
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439 | |
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440 | G4double x1, x2, xs1, xs2, y1, y2, ys1, ys2, q; |
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441 | |
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442 | // Integral over interpolation aria |
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443 | if(xMin < p[3]) { |
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444 | |
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445 | x1 = p[1]; |
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446 | y1 = p[4]; |
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447 | |
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448 | G4double dx = (p[2] - p[1]) / 3.0; |
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449 | G4double dx1= std::exp(std::log(p[3]/p[2]) / 16.0); |
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450 | |
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451 | for (size_t i=0; i<19; i++) { |
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452 | |
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453 | q = 0.0; |
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454 | if (i < 3) { |
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455 | x2 = x1 + dx; |
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456 | } else if(18 == i) { |
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457 | x2 = p[3]; |
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458 | } else { |
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459 | x2 = x1*dx1; |
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460 | } |
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461 | |
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462 | y2 = p[5 + i]; |
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463 | |
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464 | if (xMax <= x1) { |
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465 | break; |
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466 | } else if (xMin < x2) { |
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467 | |
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468 | xs1 = x1; |
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469 | xs2 = x2; |
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470 | ys1 = y1; |
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471 | ys2 = y2; |
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472 | |
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473 | if (x2 > x1) { |
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474 | if (xMin > x1) { |
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475 | xs1 = xMin; |
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476 | ys1 += (xs1 - x1)*(y2 - y1)/(x2 - x1); |
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477 | } |
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478 | if (xMax < x2) { |
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479 | xs2 = xMax; |
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480 | ys2 += (xs2 - x2)*(y1 - y2)/(x1 - x2); |
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481 | } |
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482 | if (xs2 > xs1) { |
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483 | q = (ys1*xs2 - ys2*xs1)/(xs1*xs2) |
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484 | + std::log(xs2/xs1)*(ys2 - ys1)/(xs2 - xs1); |
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485 | sum += q; |
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486 | if(p.size() == 26) G4cout << "i= " << i << " q= " << q << " sum= " << sum << G4endl; |
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487 | } |
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488 | } |
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489 | } |
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490 | x1 = x2; |
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491 | y1 = y2; |
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492 | } |
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493 | } |
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494 | |
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495 | // Integral over aria with parametrised formula |
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496 | |
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497 | x1 = std::max(xMin, p[3]); |
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498 | if(x1 >= xMax) return sum; |
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499 | x2 = xMax; |
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500 | |
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501 | xs1 = 1./x1; |
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502 | xs2 = 1./x2; |
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503 | q = (xs1 - xs2)*(1.0 - p[0]) |
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504 | - p[iMax]*std::log(x2/x1) |
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505 | + (1. - p[iMax])*(x2 - x1) |
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506 | + 1./(1. - x2) - 1./(1. - x1) |
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507 | + p[iMax]*std::log((1. - x2)/(1. - x1)) |
---|
508 | + 0.25*p[0]*(xs1*xs1 - xs2*xs2); |
---|
509 | sum += q; |
---|
510 | if(p.size() == 26) G4cout << "param... q= " << q << " sum= " << sum << G4endl; |
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511 | |
---|
512 | return sum; |
---|
513 | } |
---|
514 | |
---|
515 | |
---|
516 | G4double G4eIonisationSpectrum::AverageValue(G4double xMin, |
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517 | G4double xMax, |
---|
518 | const G4DataVector& p) const |
---|
519 | { |
---|
520 | G4double sum = 0.0; |
---|
521 | if(xMin >= xMax) return sum; |
---|
522 | |
---|
523 | G4double x1, x2, xs1, xs2, y1, y2, ys1, ys2; |
---|
524 | |
---|
525 | // Integral over interpolation aria |
---|
526 | if(xMin < p[3]) { |
---|
527 | |
---|
528 | x1 = p[1]; |
---|
529 | y1 = p[4]; |
---|
530 | |
---|
531 | G4double dx = (p[2] - p[1]) / 3.0; |
---|
532 | G4double dx1= std::exp(std::log(p[3]/p[2]) / 16.0); |
---|
533 | |
---|
534 | for (size_t i=0; i<19; i++) { |
---|
535 | |
---|
536 | if (i < 3) { |
---|
537 | x2 = x1 + dx; |
---|
538 | } else if(18 == i) { |
---|
539 | x2 = p[3]; |
---|
540 | } else { |
---|
541 | x2 = x1*dx1; |
---|
542 | } |
---|
543 | |
---|
544 | y2 = p[5 + i]; |
---|
545 | |
---|
546 | if (xMax <= x1) { |
---|
547 | break; |
---|
548 | } else if (xMin < x2) { |
---|
549 | |
---|
550 | xs1 = x1; |
---|
551 | xs2 = x2; |
---|
552 | ys1 = y1; |
---|
553 | ys2 = y2; |
---|
554 | |
---|
555 | if (x2 > x1) { |
---|
556 | if (xMin > x1) { |
---|
557 | xs1 = xMin; |
---|
558 | ys1 += (xs1 - x1)*(y2 - y1)/(x2 - x1); |
---|
559 | } |
---|
560 | if (xMax < x2) { |
---|
561 | xs2 = xMax; |
---|
562 | ys2 += (xs2 - x2)*(y1 - y2)/(x1 - x2); |
---|
563 | } |
---|
564 | if (xs2 > xs1) { |
---|
565 | sum += std::log(xs2/xs1)*(ys1*xs2 - ys2*xs1)/(xs2 - xs1) |
---|
566 | + ys2 - ys1; |
---|
567 | } |
---|
568 | } |
---|
569 | } |
---|
570 | x1 = x2; |
---|
571 | y1 = y2; |
---|
572 | |
---|
573 | } |
---|
574 | } |
---|
575 | |
---|
576 | // Integral over aria with parametrised formula |
---|
577 | |
---|
578 | x1 = std::max(xMin, p[3]); |
---|
579 | if(x1 >= xMax) return sum; |
---|
580 | x2 = xMax; |
---|
581 | |
---|
582 | xs1 = 1./x1; |
---|
583 | xs2 = 1./x2; |
---|
584 | |
---|
585 | sum += std::log(x2/x1)*(1.0 - p[0]) |
---|
586 | + 0.5*(1. - p[iMax])*(x2*x2 - x1*x1) |
---|
587 | + 1./(1. - x2) - 1./(1. - x1) |
---|
588 | + (1. + p[iMax])*std::log((1. - x2)/(1. - x1)) |
---|
589 | + 0.5*p[0]*(xs1 - xs2); |
---|
590 | |
---|
591 | return sum; |
---|
592 | } |
---|
593 | |
---|
594 | |
---|
595 | void G4eIonisationSpectrum::PrintData() const |
---|
596 | { |
---|
597 | theParam->PrintData(); |
---|
598 | } |
---|
599 | |
---|
600 | G4double G4eIonisationSpectrum::MaxEnergyOfSecondaries(G4double kineticEnergy, |
---|
601 | G4int, // Z = 0, |
---|
602 | const G4ParticleDefinition* ) const |
---|
603 | { |
---|
604 | return 0.5 * kineticEnergy; |
---|
605 | } |
---|