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Geant4/examples/advanced/dna/dsbandrepair/analysis/src/ODESolver.cc

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  1 //
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 25 //
 26 //
 27 /// \file ODESolver.cc
 28 /// \brief Implementation of the ODESolver class
 29 
 30 #include "ODESolver.hh"
 31 #include <iostream>
 32 #include <cmath>
 33 
 34 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
 35 
 36 std::vector<double> operator*(const std::vector<double> v, double alfa)
 37 {
 38   std::vector<double> vout;
 39   for (auto const val : v) vout.push_back(val*alfa);
 40   return vout;
 41 }
 42 
 43 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
 44 
 45 std::vector<double> operator+(const std::vector<double> v, double alfa)
 46 {
 47   std::vector<double> vout;
 48   for (auto const val : v) vout.push_back(val + alfa);
 49   return vout;
 50 }
 51 
 52 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
 53 
 54 std::vector<double> operator+(const std::vector<double> v1, const std::vector<double> v2)
 55 {
 56   std::vector<double> vout;
 57   for (size_t i=0;i<v1.size();i++) vout.push_back(v1.at(i) + v2.at(i));
 58   return vout;
 59 }
 60 
 61 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
 62 
 63 ODESolver::ODESolver(): fNstepsForObserver(1)
 64 {}
 65 
 66 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
 67 
 68 double ODESolver::RungeKutta_Fehlberg( std::function<std::vector<double>(double,std::vector<double>)> 
 69 func,std::vector<double> &y, double t, double stepsize)
 70 {
 71   //based on https://en.wikipedia.org/wiki/Runge%E2%80%93Kutta%E2%80%93Fehlberg_method
 72   const int nk=6;
 73   double h = stepsize;
 74   double CH[nk]={47./450.,0,12./25.,32./255.,1./30.,6./25.};
 75   double CT[nk]={-1./150.,0.,3./100.,-16./75.,-1./20.,6./25.};
 76   double A[nk]={0.,2./9.,1./3.,3./4.,1.,5./6.};
 77   double B21=2./9., B31=1./12., B41=69./128., B51=-17./12., B61=65./432.;
 78   double B32=1./4., B42=-243./128., B52=27./5., B62=13./16.;
 79   double B43=135./64., B53=-27./5., B63=13./16.;
 80   double B54=16./15., B64=4./27.;
 81   double B65=5./144.;
 82   double maxError = 1.;
 83   std::vector<double> k1 = func(t+A[0]*h,y)*h;
 84   std::vector<double> k2 = func(t+A[1]*h,y + k1*B21)*h;
 85   std::vector<double> k3 = func(t+A[2]*h,y + k1*B31 + k2*B32)*h;
 86   std::vector<double> k4 = func(t+A[3]*h,y + k1*B41 + k2*B42 + k3*B43)*h;
 87   std::vector<double> k5 = func(t+A[4]*h,y + k1*B51 + k2*B52 + k3*B53 + k4*B54)*h;
 88   std::vector<double> k6 = func(t+A[5]*h,y + k1*B61 + k2*B62 + k3*B63 + k4*B64 + k5*B65)*h;
 89   y = y + k1*CH[0] + k2*CH[1] + k3*CH[2] + k4*CH[3] + k5*CH[4] + k6*CH[5];
 90   auto TE = k1*CT[0] + k2*CT[1] + k3*CT[2] + k4*CT[3] + k5*CT[4] + k6*CT[5];
 91   absValuesVector(TE);
 92   maxError = *std::max_element(TE.begin(),TE.end());
 93   
 94   k1.clear(); k1.shrink_to_fit();
 95   k2.clear(); k2.shrink_to_fit();
 96   k3.clear(); k3.shrink_to_fit();
 97   k4.clear(); k4.shrink_to_fit();
 98   k5.clear(); k5.shrink_to_fit();
 99   k6.clear(); k6.shrink_to_fit();
100   TE.clear(); TE.shrink_to_fit();
101   return  maxError;
102 }
103 
104 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
105 
106 void ODESolver::Embedded_RungeKutta_Fehlberg( 
107   std::function<std::vector<double>(double,std::vector<double>)> func, std::vector<double> &y,
108   double start,double end,double stepsize,double epsilon,
109   std::vector<double> *time_observer,std::vector<std::vector<double>> *state_observer)
110 {
111   double t = start;
112   double h = stepsize;
113   int nsteps = 0;
114   if (h < 0) h = (end -  start)/(10000.); 
115   if (time_observer) time_observer->push_back(t);
116   if (state_observer) state_observer->push_back(y);
117   auto ytemp = y;
118   while (t < end)
119   {
120     ytemp = y;
121     double maxerror = RungeKutta_Fehlberg(func,ytemp,t,h);
122     double scale = 0.9*std::pow(epsilon/maxerror,1./5.);
123     
124     double hnew = h*scale;
125     while (maxerror > epsilon)
126     {
127       ytemp = y;
128       maxerror = RungeKutta_Fehlberg(func,ytemp,t,hnew);
129       scale = 0.9*std::pow(epsilon/maxerror,1./5.);
130       hnew = hnew*scale;
131     }
132     h = hnew;
133     y = ytemp;
134     t += h;
135     if (t > end) break;
136     if ( time_observer || state_observer) {
137       nsteps++;
138       if (nsteps%fNstepsForObserver == 0) {
139         if (time_observer) time_observer->push_back(t);
140         if (state_observer) state_observer->push_back(y); 
141         nsteps = 0;
142       }
143     }
144   }
145 
146   ytemp.clear(); ytemp.shrink_to_fit();
147 }
148 
149 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....
150 
151 void ODESolver::RungeKutta4(  
152   std::function<std::vector<double>(double,std::vector<double>)> func, std::vector<double> &y,
153     double start,double end,double stepsize, 
154     std::vector<double> *time_observer,std::vector<std::vector<double>> *state_observer)
155 {
156   double t = start;
157   double h = stepsize;
158   int nsteps = 0;
159   if (h < 0) h = (end -  start)/(10000.); 
160   if (time_observer) time_observer->push_back(t);
161   if (state_observer) state_observer->push_back(y);
162   while (t < end)
163   {
164     std::vector<double> k1 = func(t,y)*h;
165     std::vector<double> k2 = func(t+0.5*h,y + k1*0.5)*h;
166     std::vector<double> k3 = func(t+0.5*h,y + k2*0.5)*h;
167     std::vector<double> k4 = func(t+h,y + k3)*h;
168     t += h;
169     if (t > end) break;
170     y = y +(k1 +k2*2+k3*2+k4)*(1./6.0);
171     if ( time_observer || state_observer) {
172       nsteps++;
173       if (nsteps%fNstepsForObserver == 0) {
174         if (time_observer) time_observer->push_back(t);
175         if (state_observer) state_observer->push_back(y); 
176         nsteps = 0;
177       }
178     }
179     k1.clear(); k1.shrink_to_fit();
180     k2.clear(); k2.shrink_to_fit();
181     k3.clear(); k3.shrink_to_fit();
182     k4.clear(); k4.shrink_to_fit();
183   }
184 }
185 
186 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.....