Add threshold value for coverage delta metric (#113)

* Refactor coverge initialization and test for convergence * Add info message when repeating flux calculation * Add timer for additional flux calculation
ViennaTools · Feb 24, 2025 · b0dee56 · b0dee56
1 parent f267bb8
commit b0dee56
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Showing 10 changed files with 219 additions and 180 deletions.
diff --git a/examples/holeEtching/holeEtching.cpp b/examples/holeEtching/holeEtching.cpp
@@ -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(

diff --git a/examples/holeEtching/testFluxes.py b/examples/holeEtching/testFluxes.py
@@ -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
@@ -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)

diff --git a/include/viennaps/models/psFluorocarbonEtching.hpp b/include/viennaps/models/psFluorocarbonEtching.hpp
@@ -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.);
 

diff --git a/include/viennaps/models/psSF6O2Etching.hpp b/include/viennaps/models/psSF6O2Etching.hpp
@@ -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.);
 

diff --git a/include/viennaps/models/psTEOSDeposition.hpp b/include/viennaps/models/psTEOSDeposition.hpp
@@ -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.);