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&path, map &energies, bool debug, unsigned int highRes) { // sort the energies in ascending order - this might be useful for later applications (energy-interpolations etc.) // after the change from the vector to the map this is not necessary any more - since maps are always ordered! @@ -101,6 +101,12 @@ TTrimSPData::TTrimSPData(const string &path, map &energies, bool vnzz.clear(); goodFile = false; + fIsNormalized.push_back(false); + + if (highRes) { + UseHighResolution(iter->first); + } + } else { cerr << "TTrimSPData::TTrimSPData: " << energyStr << " does not seem to be a valid unmodified TRIM.SP output file!" << endl; continue; @@ -113,9 +119,6 @@ TTrimSPData::TTrimSPData(const string &path, map &energies, bool fOrigDataNZ = fDataNZ; - for(unsigned int i(0); i&, bool debug = false); + TTrimSPData(const string&, map&, bool debug = false, unsigned int highRes = 0); ~TTrimSPData() { fDataZ.clear(); @@ -60,6 +60,7 @@ public: vector OrigDataNZ(double) const; double DataDZ(double) const; void UseHighResolution(double); + void SetOriginal() {fOrigDataNZ = fDataNZ;} void WeightLayers(double, const vector&, const vector&) const; double LayerFraction(double, unsigned int, const vector&) const; double GetNofZ(double, double) const; diff --git a/src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp b/src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp index e274c274..ef9dd304 100644 --- a/src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp +++ b/src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp @@ -33,6 +33,7 @@ #include #include #include +#include using namespace std; #include @@ -257,7 +258,7 @@ TMeanFieldsForScBilayer::TMeanFieldsForScBilayer() { string rge_path(startupHandler->GetDataPath()); map energy_vec(startupHandler->GetEnergies()); - fImpProfile = new TTrimSPData(rge_path, energy_vec, startupHandler->GetDebug()); + fImpProfile = new TTrimSPData(rge_path, energy_vec, startupHandler->GetDebug(), 1); // clean up if (saxParser) { @@ -272,10 +273,16 @@ TMeanFieldsForScBilayer::TMeanFieldsForScBilayer() { } // Operator-method that returns the mean field for a given implantation energy -// Parameters: field, deadlayer, layer1, layer2, lambda1, lambda2, weight1 (deadlayer), weight2, weight3, weight4 (substrate) +// Parameters: field, deadlayer, layer1, layer2, lambda1, lambda2, weight1 (deadlayer), weight2, weight3, weight4 (substrate), +// [Gss width for profile convolution] double TMeanFieldsForScBilayer::operator()(double E, const vector &par_vec) const{ - + + double width(0.0); + if (par_vec.size() == 11) { + width = par_vec[10]; + } + vector interfaces; interfaces.push_back(par_vec[1]); interfaces.push_back(par_vec[1]+par_vec[2]); @@ -299,12 +306,12 @@ double TMeanFieldsForScBilayer::operator()(double E, const vector &par_v energyIter = find(energies.begin(), energies.end(), E); if (energyIter != energies.end()) { // implantation profile found - no interpolation needed - return CalcMeanB(E, interfaces, weights, BofZ); + return CalcMeanB(E, interfaces, weights, BofZ, width); } else { if (E < energies.front()) - return CalcMeanB(energies.front(), interfaces, weights, BofZ); + return CalcMeanB(energies.front(), interfaces, weights, BofZ, width); if (E > energies.back()) - return CalcMeanB(energies.back(), interfaces, weights, BofZ); + return CalcMeanB(energies.back(), interfaces, weights, BofZ, width); energyIter = find_if(energies.begin(), energies.end(), bind2nd( greater(), E)); // cout << *(energyIter - 1) << " " << *(energyIter) << endl; @@ -312,22 +319,32 @@ double TMeanFieldsForScBilayer::operator()(double E, const vector &par_v double E1(*(energyIter - 1)); double E2(*(energyIter)); - double B1(CalcMeanB(E1, interfaces, weights, BofZ)); - double B2(CalcMeanB(E2, interfaces, weights, BofZ)); + double B1(CalcMeanB(E1, interfaces, weights, BofZ, width)); + double B2(CalcMeanB(E2, interfaces, weights, BofZ, width)); return B1 + (B2-B1)/(E2-E1)*(E-E1); } } -double TMeanFieldsForScBilayer::CalcMeanB (double E, const vector& interfaces, const vector& weights, const TLondon1D_2L& BofZ) const { - //calcData->UseHighResolution(E); +double TMeanFieldsForScBilayer::CalcMeanB (double E, const vector& interfaces, const vector& weights, const TLondon1D_2L& BofZ, double width=0.0) const { + //fImpProfile->UseHighResolution(E); + //fImpProfile->ConvolveGss(width, E); + //fImpProfile->SetOriginal(); fImpProfile->WeightLayers(E, interfaces, weights); + fImpProfile->ConvolveGss(width, E); fImpProfile->Normalize(E); vector z(fImpProfile->DataZ(E)); vector nz(fImpProfile->DataNZ(E)); double dz(fImpProfile->DataDZ(E)); + if (E==20.0){ + ofstream of("Implantation-profile-normal.dat"); + for (unsigned int i(0); i&) const; - double CalcMeanB (double, const vector&, const vector&, const TLondon1D_2L&) const; + double CalcMeanB (double, const vector&, const vector&, const TLondon1D_2L&, double) const; private: TTrimSPData *fImpProfile;