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feat: Add restart entries to constitutive drivers #3883

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579231f
Add ConstitutiveDriver base class
dkachuma Oct 24, 2025
1fd4e40
Move tests
dkachuma Oct 24, 2025
7eae638
Restore reactive fluid file
dkachuma Oct 24, 2025
4bf89c2
Move file again
dkachuma Oct 24, 2025
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23 changes: 23 additions & 0 deletions inputFiles/constitutiveDriver/constitutiveDriver.ats
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Original file line number Diff line number Diff line change
@@ -0,0 +1,23 @@
from geos.ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests

restartcheck_params = {'atol': 1e-08, 'rtol': 4e-07}

def create_pvt_test(name, description=None):
if description is None: description = name
TestDeck(
name=name,
description=description,
partitions=((1, 1, 1)),
restart_step=0,
restartcheck_params=RestartcheckParameters(**restartcheck_params))

decks = [
create_pvt_test("testPVT"),
create_pvt_test("testPVT_CO2Brine", "PVT Driver test for CO2 fluid models"),
create_pvt_test("testPVT_CO2BrineTables", "PVT Driver test for CO2 fluid models with solubility tables"),
create_pvt_test("testPVT_PhaseComposition", "PVT Driver test with composition output"),
create_pvt_test("testPVT_ThreePhaseCompositional", "PVT Driver test for three phase compositional models"),
create_pvt_test("testPVT_docExample", "PVT Driver documentation example")
]

generate_geos_tests(decks)
48 changes: 19 additions & 29 deletions ...rationTests/constitutiveTests/testPVT.xml → inputFiles/constitutiveDriver/testPVT.xml
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Expand Up @@ -8,8 +8,8 @@
feedComposition="{ 0.1, 0.9 }"
pressureControl="pressureFunction"
temperatureControl="temperatureFunction"
steps="49"
baseline="testPVT_hydrogenMixtureA.txt"
steps="50"
output="testPVT_hydrogenMixtureA.txt"
logLevel="1"/>

<PVTDriver
Expand All @@ -18,8 +18,8 @@
feedComposition="{ 0.5, 0.5 }"
pressureControl="pressureFunction"
temperatureControl="temperatureFunction"
steps="49"
baseline="testPVT_hydrogenMixtureB.txt"
steps="50"
output="testPVT_hydrogenMixtureB.txt"
logLevel="1"/>

<PVTDriver
Expand All @@ -28,8 +28,8 @@
feedComposition="{ 1.0, 0.0 }"
pressureControl="pressureFunction"
temperatureControl="temperatureFunction"
steps="49"
baseline="testPVT_CO2.txt"
steps="50"
output="testPVT_hydrogenMixtureB.txt"
logLevel="1"/>

<PVTDriver
Expand All @@ -38,11 +38,16 @@
feedComposition="{ 0.0, 1.0 }"
pressureControl="pressureFunction"
temperatureControl="temperatureFunction"
steps="49"
baseline="testPVT_brine.txt"
steps="50"
output="testPVT_hydrogenMixtureB.txt"
logLevel="1"/>
</Tasks>

<Outputs>
<Restart
name="restartOutput"/>
</Outputs>

<Events
maxTime="1">
<SoloEvent
Expand All @@ -60,6 +65,12 @@
<SoloEvent
name="eventD"
target="/Tasks/testBrine"/>

<PeriodicEvent
name="restarts"
timeFrequency="1"
targetExactTimestep="0"
target="/Outputs/restartOutput"/>
</Events>

<Constitutive>
Expand Down Expand Up @@ -95,25 +106,4 @@
coordinates="{ 0.0, 1.0 }"
values="{ 350, 350 }"/>
</Functions>

<!-- Mesh is not used, but GEOSX throws an error without one. Will resolve soon-->
<Mesh>
<InternalMesh
name="mesh1"
elementTypes="{ C3D8 }"
xCoords="{ 0, 1 }"
yCoords="{ 0, 1 }"
zCoords="{ 0, 1 }"
nx="{ 1 }"
ny="{ 1 }"
nz="{ 1 }"
cellBlockNames="{ cellBlock01 }"/>
</Mesh>

<ElementRegions>
<CellElementRegion
name="dummy"
cellBlocks="{ * }"
materialList="{ dummy }"/>
</ElementRegions>
</Problem>
27 changes: 19 additions & 8 deletions ...ts/constitutiveTests/testPVT_CO2Brine.xml → ...s/constitutiveDriver/testPVT_CO2Brine.xml
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Expand Up @@ -11,7 +11,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2BrinePhillipsMixtureA.txt"
output="testPVT_CO2Brine_testCo2BrinePhillipsMixtureA.txt"
logLevel="1" />
<PVTDriver
name="testCo2BrinePhillipsMixtureB"
Expand All @@ -22,7 +22,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2BrinePhillipsMixtureB.txt"
output="testPVT_CO2Brine_testCo2BrinePhillipsMixtureB.txt"
precision="6"
logLevel="1" />
<PVTDriver
Expand All @@ -34,7 +34,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2BrineEzrokhiMixtureA.txt"
output="testPVT_CO2Brine_testCo2BrineEzrokhiMixtureA.txt"
logLevel="1" />
<PVTDriver
name="testCo2BrineEzrokhiMixtureB"
Expand All @@ -45,7 +45,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2BrineEzrokhiMixtureB.txt"
output="testPVT_CO2Brine_testCo2BrineEzrokhiMixtureB.txt"
logLevel="1" />
<PVTDriver
name="testCo2SpycherPruessBrinePhillipsMixtureA"
Expand All @@ -56,7 +56,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2SpycherPruessBrinePhillipsMixtureA.txt"
output="testPVT_CO2Brine_testCo2SpycherPruessBrinePhillipsMixtureA.txt"
logLevel="1" />
<PVTDriver
name="testCo2SpycherPruessBrinePhillipsMixtureB"
Expand All @@ -67,7 +67,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2Brine_testCo2SpycherPruessBrinePhillipsMixtureB.txt"
output="testPVT_CO2Brine_testCo2SpycherPruessBrinePhillipsMixtureB.txt"
logLevel="1" />
<PVTDriver
name="testCo2BrinePhillipsMixtureThermalA"
Expand All @@ -79,7 +79,7 @@
outputCompressibility="1"
outputPhaseComposition="1"
outputMassDensity="1"
baseline="testPVT_CO2Brine_testCo2BrinePhillipsMixtureThermalA.txt"
output="testPVT_CO2Brine_testCo2BrinePhillipsMixtureThermalA.txt"
logLevel="1" />
<PVTDriver
name="testCo2BrinePhillipsMixtureThermalB"
Expand All @@ -91,9 +91,14 @@
outputCompressibility="1"
outputPhaseComposition="1"
outputMassDensity="1"
baseline="testPVT_CO2Brine_testCo2BrinePhillipsMixtureThermalB.txt"
output="testPVT_CO2Brine_testCo2BrinePhillipsMixtureThermalB.txt"
logLevel="1" />
</Tasks>

<Outputs>
<Restart
name="restartOutput"/>
</Outputs>

<Events
maxTime="1">
Expand Down Expand Up @@ -121,6 +126,12 @@
<SoloEvent
name="eventCo2BrinePhillipsMixtureThermalB"
target="/Tasks/testCo2BrinePhillipsMixtureThermalB" />

<PeriodicEvent
name="restarts"
timeFrequency="1"
targetExactTimestep="0"
target="/Outputs/restartOutput"/>
</Events>

<Constitutive>
Expand Down
36 changes: 13 additions & 23 deletions ...stitutiveTests/testPVT_CO2BrineTables.xml → ...titutiveDriver/testPVT_CO2BrineTables.xml
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Expand Up @@ -11,7 +11,7 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2BrineTables_testCo2BrinePhillipsMixtureA.txt"
output="testPVT_CO2BrineTables_testCo2BrinePhillipsMixtureA.txt"
logLevel="1" />
<PVTDriver
name="testCo2BrinePhillipsMixtureB"
Expand All @@ -22,11 +22,16 @@
steps="20"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_CO2BrineTables_testCo2BrinePhillipsMixtureB.txt"
output="testPVT_CO2BrineTables_testCo2BrinePhillipsMixtureB.txt"
precision="6"
logLevel="1" />
</Tasks>

<Outputs>
<Restart
name="restartOutput"/>
</Outputs>

<Events
maxTime="1">
<SoloEvent
Expand All @@ -35,6 +40,12 @@
<SoloEvent
name="eventCo2BrinePhillipsMixtureB"
target="/Tasks/testCo2BrinePhillipsMixtureB" />

<PeriodicEvent
name="restarts"
timeFrequency="1"
targetExactTimestep="0"
target="/Outputs/restartOutput"/>
</Events>

<Constitutive>
Expand Down Expand Up @@ -79,25 +90,4 @@
coordinateFiles="{ testPVT_data/pres.txt, testPVT_data/temp.txt }"
voxelFile="testPVT_data/h20Vapourisation.txt" />
</Functions>

<!-- Mesh is not used, but GEOSX throws an error without one. Will resolve soon-->
<Mesh>
<InternalMesh
name="mesh1"
elementTypes="{ C3D8 }"
xCoords="{ 0, 1 }"
yCoords="{ 0, 1 }"
zCoords="{ 0, 1 }"
nx="{ 1 }"
ny="{ 1 }"
nz="{ 1 }"
cellBlockNames="{ cellBlock01 }" />
</Mesh>

<ElementRegions>
<CellElementRegion
name="dummy"
cellBlocks="{ * }"
materialList="{ dummy }" />
</ElementRegions>
</Problem>
48 changes: 19 additions & 29 deletions ...nstitutiveTests/testPVT_Compositional.xml → ...stitutiveDriver/testPVT_Compositional.xml
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_Compositional_liveOilPR.txt"
output="testPVT_Compositional_liveOilPR.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilPRLBC"
Expand All @@ -24,7 +24,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_Compositional_liveOilPRLBC.txt"
output="testPVT_Compositional_liveOilPRLBC.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilSRK"
Expand All @@ -36,7 +36,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_Compositional_liveOilSRK.txt"
output="testPVT_Compositional_liveOilSRK.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilSRKLBC"
Expand All @@ -48,10 +48,15 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
baseline="testPVT_Compositional_liveOilSRKLBC.txt"
output="testPVT_Compositional_liveOilSRKLBC.txt"
logLevel="1"/>
</Tasks>

<Outputs>
<Restart
name="restartOutput"/>
</Outputs>

<Events
maxTime="1">
<SoloEvent
Expand All @@ -66,13 +71,19 @@
<SoloEvent
name="eventLiveOilSRKLBC"
target="/Tasks/testLiveOilSRKLBC"/>

<PeriodicEvent
name="restarts"
timeFrequency="1"
targetExactTimestep="0"
target="/Outputs/restartOutput"/>
</Events>

<Constitutive>
<CompositionalTwoPhaseFluid
name="liveOilPR"
phaseNames="{ oil, gas }"
equationsOfState="{ pr, pr }"
equationsOfState="{ PengRobinson, PengRobinson }"
componentNames="{ CO2, N2, C1, C2, C3, C4, C5, C6, C7+ }"
componentCriticalPressure="{ 73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5 }"
componentCriticalTemperature="{ 304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8 }"
Expand All @@ -93,7 +104,7 @@
<CompositionalTwoPhaseFluidLohrenzBrayClark
name="liveOilPRLBC"
phaseNames="{ oil, gas }"
equationsOfState="{ pr, pr }"
equationsOfState="{ PengRobinson, PengRobinson }"
componentNames="{ CO2, N2, C1, C2, C3, C4, C5, C6, C7+ }"
componentCriticalPressure="{ 73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5 }"
componentCriticalTemperature="{ 304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8 }"
Expand All @@ -115,7 +126,7 @@
<CompositionalTwoPhaseFluid
name="liveOilSRK"
phaseNames="{ oil, gas }"
equationsOfState="{ srk, srk }"
equationsOfState="{ SoaveRedlichKwong, SoaveRedlichKwong }"
componentNames="{ CO2, N2, C1, C2, C3, C4, C5, C6, C7+ }"
componentCriticalPressure="{ 73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5 }"
componentCriticalTemperature="{ 304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8 }"
Expand All @@ -136,7 +147,7 @@
<CompositionalTwoPhaseFluidLohrenzBrayClark
name="liveOilSRKLBC"
phaseNames="{ oil, gas }"
equationsOfState="{ srk, srk }"
equationsOfState="{ SoaveRedlichKwong, SoaveRedlichKwong }"
componentNames="{ CO2, N2, C1, C2, C3, C4, C5, C6, C7+ }"
componentCriticalPressure="{ 73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5 }"
componentCriticalTemperature="{ 304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8 }"
Expand Down Expand Up @@ -170,25 +181,4 @@
coordinates="{ 0.0, 1.0, 2.0 }"
values="{ 553.15, 583.15, 583.15 }"/>
</Functions>

<!-- Mesh is not used, but GEOSX throws an error without one. Will resolve soon-->
<Mesh>
<InternalMesh
name="mesh1"
elementTypes="{ C3D8 }"
xCoords="{ 0, 1 }"
yCoords="{ 0, 1 }"
zCoords="{ 0, 1 }"
nx="{ 1 }"
ny="{ 1 }"
nz="{ 1 }"
cellBlockNames="{ cellBlock01 }"/>
</Mesh>

<ElementRegions>
<CellElementRegion
name="dummy"
cellBlocks="{ cellBlock01 }"
materialList="{ dummy }"/>
</ElementRegions>
</Problem>
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