/[bauman]/pcs_extrap/helium.cpp
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Diff of /pcs_extrap/helium.cpp

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revision 47 by rporter, Thu Sep 1 19:20:07 2011 UTC revision 48 by rporter, Thu Sep 1 19:44:40 2011 UTC
# Line 107   int main() Line 107   int main()
107          map< string, vector<double> > pcs;          map< string, vector<double> > pcs;
108          map< string, vector<double> > errortable;          map< string, vector<double> > errortable;
109    
110          // this is a loop over the first index          // this is a loop over the first index
111          for( map< string, map< string,details > >::iterator it1 = DataTable.begin(); it1 != DataTable.end(); ++it1 )          for( map< string, map< string,details > >::iterator it1 = DataTable.begin(); it1 != DataTable.end(); ++it1 )
112          {          {
113                  vector<long> nHi;                  vector<long> nHi;
114                  vector<double> flu, nu, energy, y, x;                  vector<double> flu, nu, energy, y, x;
115                  double energy_thresh_lo = ionization_energy - (*it1).second.begin()->second.Elow;                  double energy_thresh_lo = ionization_energy - (*it1).second.begin()->second.Elow;
116                                    
117                  const bool lgIgnoreDeltaNZero = true;                  const bool lgIgnoreDeltaNZero = true;
118    
119                  // this is a loop over the second index                  // this is a loop over the second index
120                  for( map< string,details >::iterator it2 = (*it1).second.begin(); it2 != (*it1).second.end(); ++it2 )                  for( map< string,details >::iterator it2 = (*it1).second.begin(); it2 != (*it1).second.end(); ++it2 )
121                  {                  {
122                          if( lgIgnoreDeltaNZero && it2->second.nLo >= it2->second.nHi-1 )                          // skip delta N = zero transitions
123                            if( lgIgnoreDeltaNZero && it2->second.nLo >= it2->second.nHi )
124                                    continue;
125    
126                            // skip transitions with low (highly non-hydrogenic) nHi
127                            if( it2->second.nHi <= 3 )
128                                  continue;                                  continue;
129      
130                          flu.push_back( it2->second.flu );                          flu.push_back( it2->second.flu );
131                          nHi.push_back( it2->second.nHi );                          nHi.push_back( it2->second.nHi );
132                          double energy_thresh_hi  = ionization_energy - it2->second.Eup;                          double energy_thresh_hi  = ionization_energy - it2->second.Eup;
133                          double n_eff = sqrt( 0.999862926*109737.315/ energy_thresh_hi );                          double n_eff = sqrt( 0.999862926*109737.315/ energy_thresh_hi );
134                          nu.push_back( n_eff );                          nu.push_back( n_eff );
135                          energy.push_back( it2->second.Eup - it2->second.Elow );                          energy.push_back( it2->second.Eup - it2->second.Elow );
136                          y.push_back( log( flu.back() * n_eff * n_eff * n_eff ) );                          y.push_back( log( flu.back() * n_eff * n_eff * n_eff ) );
137                          x.push_back( log( energy_thresh_lo/energy.back() ) );                          x.push_back( log( energy_thresh_lo/energy.back() ) );
138                  }                  }
139    
140                  string confLo = (*it1).second.begin()->second.configLo;                  string confLo = (*it1).second.begin()->second.configLo;
141                  long nLo = (*it1).second.begin()->second.nLo;                  long nLo = (*it1).second.begin()->second.nLo;
142                    
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