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src/Actions/AnalysisAction/DipoleCorrelationAction.cpp
rbe21fa rf10b0c 48 48 49 49 // execute action 50 output.open(params.outputname. string().c_str());51 binoutput.open(params.binoutputname. string().c_str());50 output.open(params.outputname.get().string().c_str()); 51 binoutput.open(params.binoutputname.get().string().c_str()); 52 52 DipoleCorrelationMap *correlationmap = NULL; 53 53 std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules(); 54 54 LOG(0, "STATUS: There are " << molecules.size() << " selected molecules."); 55 ASSERT(!params.periodic , "AnalysisDipoleCorrelationAction() - periodic case not implemented.");55 ASSERT(!params.periodic.get(), "AnalysisDipoleCorrelationAction() - periodic case not implemented."); 56 56 correlationmap = DipoleCorrelation(molecules); 57 57 OutputCorrelationMap<DipoleCorrelationMap>(&output, correlationmap, OutputDipoleCorrelation_Header, OutputDipoleCorrelation_Value); 58 binmap = BinData( correlationmap, params.BinWidth , params.BinStart, params.BinEnd);58 binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() ); 59 59 OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value ); 60 60 delete(binmap);
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