fix: termination of ALP pulse-time loop

  The pulse-time loop in ALPStrategy used an absolute difference
  and hardcoded absolute epsilon (std::fabs(time - pulseTime) > 1e-6)
  as its termination guard, which does not brake if the time increment is not a whole fraction of pulseTime (or very close).

  Replace with a scaled epsilon (coverageTimeStep * 1e-4) and changed termination guard.

Author: philipphaslhofer

include/viennaps/process/psALPStrategy.hpp

@@ -162,7 +162,8 @@ class ALPStrategy final : public ProcessStrategy<NumericType, D> {
 
       double time = 0.;
       unsigned pulseIteration = 0;
-      while (std::fabs(time - pulseTime) > 1e-6) {
+      const double coverageTimeStep = context.atomicLayerParams.coverageTimeStep;
+      while (time < pulseTime - coverageTimeStep * 1e-4) {
 #ifdef VIENNATOOLS_PYTHON_BUILD
         // Check for user interruption
         if (PyErr_CheckSignals() != 0)
@@ -178,7 +179,7 @@ class ALPStrategy final : public ProcessStrategy<NumericType, D> {
 
         outputIntermediateResults(context, fluxes, pulseIteration);
 
-        time += context.atomicLayerParams.coverageTimeStep;
+        time += coverageTimeStep;
         pulseIteration++;
 
         if (Logger::hasInfo()) {