function getTimescale added to main.cpp

Makefile

@@ -7,7 +7,7 @@
 compiler	=g++
 CANTERA_DIR	=/opt/scientific/cantera-2.4_gnu_blas
 IDA_DIR		=/opt/scientific/sundials-3.1.1_intel_mkl
-EXE		=DropletCombustion3
+EXE		=DropletCombustion4
 #DESTDIR		=~/bin
 DESTDIR		= ../example
 

UserData.d

@@ -0,0 +1,63 @@
+UserData.o: UserData.cpp UserData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/IdealGasPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Phase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/fmt.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/config.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/core.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format-inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/printf.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Elements.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Species.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ValueCache.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/MultiSpeciesThermo.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/SpeciesThermoInterpType.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/speciesThermoTypes.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/GasKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/BulkKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Kinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/StoichManager.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Falloff.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RateCoeffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/ThirdBodyCalc.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/FactoryBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/importKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/numerics/DenseMatrix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/Array.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTranInteraction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LTPspecies.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/xml.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ gridRoutines.h parse.h parse.hpp

gridRoutines.d

@@ -0,0 +1 @@
+gridRoutines.o: gridRoutines.cpp gridRoutines.h parse.h parse.hpp

main.cpp

@@ -178,6 +178,8 @@ int main(){
 	printTimescaleHeader(data);
 	printSpaceTimeOutput(tNow, &y, data->output, data);
 	printSpaceTimeOutput(tNow, &y, data->gridOutput, data);
+
+    getTimescale(data,&y) ; 
 	printTimescaleOutput(tNow, &y, data->timescaleOutput,data);
 	
 
@@ -306,8 +308,10 @@ int main(){
 				//	printSpaceTimeRates(tNow, ydot, data);
 				//}
 			}
-
-			if(count%data->nSaves==0 ){
+            
+            
+            getTimescale(data,&y);
+			if(count%data->nSaves==0){
 				printTimescaleOutput(tNow,&y, data->timescaleOutput,data);
 				//printSpaceTimeOutput(tNow, &y, data->output, data);
 				//if(data->writeRates){

main.d

@@ -0,0 +1,77 @@
+main.o: main.cpp UserData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/IdealGasPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Phase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/fmt.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/config.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/core.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format-inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/printf.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Elements.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Species.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ValueCache.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/MultiSpeciesThermo.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/SpeciesThermoInterpType.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/speciesThermoTypes.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/GasKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/BulkKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Kinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/StoichManager.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Falloff.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RateCoeffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/ThirdBodyCalc.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/FactoryBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/importKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/numerics/DenseMatrix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/Array.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTranInteraction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LTPspecies.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/xml.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ gridRoutines.h parse.h parse.hpp solution.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_types.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_config.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/nvector/nvector_openmp.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_nvector.h \
+ residue.h macros.h timing.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/ida/ida.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/ida/ida_direct.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_direct.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_matrix.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_linearsolver.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_iterative.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sunmatrix/sunmatrix_band.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sunlinsol/sunlinsol_lapackband.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_lapack.h

parse.d

@@ -0,0 +1 @@
+parse.o: parse.cpp parse.h parse.hpp

residue.cpp

@@ -1477,10 +1477,11 @@ void getTimescale(UserData data, N_Vector* y){
 		for(k=1;k<= nsp;k++){
 			data->time_scale(i,k) = concentra(k)/(wdot_mass(k)+ 1.00e-16) ; 
 		}
+        
 
 
 	}
-
+    
 }
 
 
@@ -1520,4 +1521,4 @@ void printTimescaleOutput(double t,N_Vector* y,FILE* output,UserData data)
 	fprintf(output, "\n");
 
 
-}
+}

residue.d

@@ -0,0 +1,67 @@
+residue.o: residue.cpp residue.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_types.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_config.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/nvector/nvector_openmp.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_nvector.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/IdealGasPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Phase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/fmt.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/config.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/core.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format-inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/format.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/printf.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/ext/fmt/ostream.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Elements.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ct_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/Species.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ValueCache.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/MultiSpeciesThermo.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/SpeciesThermoInterpType.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/speciesThermoTypes.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/GasKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/BulkKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Kinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/thermo/ThermoPhase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/StoichManager.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/global.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Falloff.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RateCoeffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/RxnRates.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/ThirdBodyCalc.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffMgr.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/reaction_defs.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/FalloffFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/FactoryBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/Reaction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/kinetics/importKinetics.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/stringUtils.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportFactory.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportBase.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportParams.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/numerics/DenseMatrix.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/Array.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/utilities.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTranInteraction.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LiquidTransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/LTPspecies.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportData.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/xml.h \
+ /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/ctexceptions.h \
+ UserData.h gridRoutines.h parse.h parse.hpp macros.h timing.hpp

solution.d

@@ -0,0 +1,5 @@
+solution.o: solution.cpp solution.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_types.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_config.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/nvector/nvector_openmp.h \
+ /opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_nvector.h