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Add threshold value for coverage delta metric #113

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merged 3 commits into from
Feb 24, 2025
Merged

Add threshold value for coverage delta metric #113

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1cce496
Refactor coverge initialization and test for convergence
tobre1 Feb 24, 2025
34225b2
Add info message when repeating flux calculation
tobre1 Feb 24, 2025
d866c0b
Add timer for additional flux calculation
tobre1 Feb 24, 2025
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2 changes: 1 addition & 1 deletion examples/holeEtching/holeEtching.cpp
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Expand Up @@ -52,7 +52,7 @@ int main(int argc, char *argv[]) {
Process<NumericType, D> process;
process.setDomain(geometry);
process.setProcessModel(model);
process.setMaxCoverageInitIterations(20);
process.setCoverageDeltaThreshold(1e-4);
process.setNumberOfRaysPerPoint(params.get("raysPerPoint"));
process.setProcessDuration(params.get("processTime"));
process.setIntegrationScheme(
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20 changes: 10 additions & 10 deletions examples/holeEtching/testFluxes.py
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Expand Up @@ -23,9 +23,8 @@
vps.Time.setUnit("min")

# hole geometry parameters
gridDelta = 0.025 # um
xExtent = 1.0
yExtent = 1.0
gridDelta = 0.03 # um
extent = 3.0
holeRadius = 0.175
maskHeight = 1.2
taperAngle = 1.193
Expand Down Expand Up @@ -62,22 +61,23 @@

# geometry setup, all units in um
geometry = vps.Domain(
gridDelta=params["gridDelta"],
xExtent=params["xExtent"],
yExtent=params["yExtent"],
gridDelta=gridDelta,
xExtent=extent,
yExtent=extent,
)
vps.MakeHole(
domain=geometry,
holeRadius=params["holeRadius"],
holeRadius=holeRadius,
holeDepth=0.0,
maskHeight=params["maskHeight"],
maskTaperAngle=params["taperAngle"],
holeShape=vps.HoleShape.Half,
maskHeight=maskHeight,
maskTaperAngle=taperAngle,
# holeShape=vps.HoleShape.Half,
).apply()

process = vps.Process()
process.setDomain(geometry)
process.setMaxCoverageInitIterations(20)
process.setCoverageDeltaThreshold(1e-4)
process.setProcessDuration(processDuration)
process.setIntegrationScheme(integrationScheme)
process.setNumberOfRaysPerPoint(numberOfRaysPerPoint)
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1 change: 0 additions & 1 deletion include/viennaps/models/psFluorocarbonEtching.hpp
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Expand Up @@ -169,7 +169,6 @@ class FluorocarbonSurfaceModel : public SurfaceModel<NumericType> {
calculateVelocities(SmartPointer<viennals::PointData<NumericType>> fluxes,
const std::vector<Vec3D<NumericType>> &coordinates,
const std::vector<NumericType> &materialIds) override {
updateCoverages(fluxes, materialIds);
const auto numPoints = materialIds.size();
std::vector<NumericType> etchRate(numPoints, 0.);

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1 change: 0 additions & 1 deletion include/viennaps/models/psSF6O2Etching.hpp
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Expand Up @@ -58,7 +58,6 @@ class SF6O2SurfaceModel : public SurfaceModel<NumericType> {
calculateVelocities(SmartPointer<viennals::PointData<NumericType>> fluxes,
const std::vector<Vec3D<NumericType>> &coordinates,
const std::vector<NumericType> &materialIds) override {
updateCoverages(fluxes, materialIds);
const auto numPoints = fluxes->getScalarData(0)->size();
std::vector<NumericType> etchRate(numPoints, 0.);

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1 change: 0 additions & 1 deletion include/viennaps/models/psTEOSDeposition.hpp
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Expand Up @@ -24,7 +24,6 @@ class SingleTEOSSurfaceModel : public SurfaceModel<NumericType> {
SmartPointer<viennals::PointData<NumericType>> rates,
const std::vector<std::array<NumericType, 3>> &coordinates,
const std::vector<NumericType> &materialIDs) override {
updateCoverages(rates, materialIDs);
// define the surface reaction here
auto particleFlux = rates->getScalarData("particleFlux");
std::vector<NumericType> velocity(particleFlux->size(), 0.);
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