Advance simulation faster (check validity less often).

Also tweaked the input files
ReactionMechanismGenerator · Oct 28, 2009 · d7418f1 · d7418f1
1 parent 8069120
commit d7418f1
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Showing 3 changed files with 7 additions and 5 deletions.
diff --git a/examples/1,3-hexadiene/input.xml b/examples/1,3-hexadiene/input.xml
@@ -61,9 +61,9 @@
 	<!-- Dynamic simulator -->
 	<simulator atol="1e-16" rtol="1e-8" />
 	<fluxTolerance>
-		<keepInEdge>1e-4</keepInEdge>
-		<moveToCore>0.1</moveToCore>
-		<interruptSimulation>1.0</interruptSimulation>
+		<keepInEdge>1e-5</keepInEdge>
+		<moveToCore>0.01</moveToCore>
+		<interruptSimulation>0.5</interruptSimulation>
 	</fluxTolerance>
 	<!-- Options -->
 	<drawMolecules>off</drawMolecules>

diff --git a/examples/diesel/input.xml b/examples/diesel/input.xml
@@ -48,7 +48,7 @@
 			<temperature units="K">500.0</temperature>
 		</temperatureModel>
 		<pressureModel type="isobaric">
-			<pressure units="bar">1.0</pressure>
+			<pressure units="bar">201.0</pressure>
 		</pressureModel>
 		<physicalPropertyModel type="incompressibleLiquid" >
 		    <molarVolume units="cm^3/mol">162.0</molarVolume>

diff --git a/source/rmg/model.py b/source/rmg/model.py
@@ -936,8 +936,10 @@ def simulate(self, model):
 				first_step = False # don't integrate on first time through, just do the validity checking and result reporting
 			else:
 				# advance cantera one step, or two if the first didn't get there
+				nexttime = time*1.2589254117941673
 				if sim.step(endtime) < endtime:
-				 	sim.step(endtime) 
+				 	if sim.step(endtime) < nexttime:
+						sim.advance(nexttime)
 
 			time = sim.time()
 			P = gas.pressure()