Utilize ParticleAnalyzeSampleTime to calculate per second variables (…

…collision/reaction rates, mass flow etc.) instead of using the time step and PartAnalyzeStep
piclas-framework · Mar 11, 2024 · 104699d · 104699d
1 parent e41a022
commit 104699d
Showing 1 changed file with 17 additions and 72 deletions.
diff --git a/src/particles/analyze/particle_analyze_tools.f90 b/src/particles/analyze/particle_analyze_tools.f90
@@ -1282,8 +1282,8 @@ SUBROUTINE CalcSurfaceFluxInfo()
 !===================================================================================================================================
 ! MODULES                                                                                                                          !
 USE MOD_Globals
-USE MOD_TimeDisc_Vars           ,ONLY: dt, iter
-USE MOD_Particle_Analyze_Vars   ,ONLY: FlowRateSurfFlux,PressureAdaptiveBC,PartAnalyzeStep
+USE MOD_TimeDisc_Vars           ,ONLY: iter
+USE MOD_Particle_Analyze_Vars   ,ONLY: FlowRateSurfFlux,PressureAdaptiveBC,ParticleAnalyzeSampleTime
 USE MOD_Particle_Vars           ,ONLY: Species,nSpecies,VarTimeStep
 USE MOD_Particle_Surfaces_Vars  ,ONLY: BCdata_auxSF, SurfFluxSideSize, SurfMeshSubSideData
 USE MOD_Particle_Sampling_Vars  ,ONLY: UseAdaptiveBC, AdaptBCMacroVal, AdaptBCMapElemToSample, AdaptBCAreaSurfaceFlux
@@ -1314,9 +1314,9 @@ SUBROUTINE CalcSurfaceFluxInfo()
 DO iSpec = 1, nSpecies
   ! Species-specific time step
   IF(VarTimeStep%UseSpeciesSpecific) THEN
-    dtVar = dt * Species(iSpec)%TimeStepFactor
+    dtVar = ParticleAnalyzeSampleTime * Species(iSpec)%TimeStepFactor
   ELSE
-    dtVar = dt
+    dtVar = ParticleAnalyzeSampleTime
   END IF
   DO iSF = 1, Species(iSpec)%nSurfacefluxBCs
     ! SampledMassFlow contains the weighted particle number balance (in - out)
@@ -1371,15 +1371,8 @@ SUBROUTINE CalcSurfaceFluxInfo()
 END IF
 #endif /*USE_MPI*/
 
-! 3) Consider Part-AnalyzeStep for FlowRateSurfFlux and determine the average pressure (value does not depend on the Part-AnalyzeStep)
+! 3) Determine the average pressure
 IF (MPIRoot) THEN
-  IF(PartAnalyzeStep.GT.1)THEN
-    IF(PartAnalyzeStep.EQ.HUGE(PartAnalyzeStep))THEN
-      FlowRateSurfFlux = FlowRateSurfFlux / iter
-    ELSE
-      FlowRateSurfFlux = FlowRateSurfFlux / MIN(PartAnalyzeStep,iter)
-    END IF
-  END IF
   IF(UseAdaptiveBC) THEN
     IF(AdaptBCAverageValBC) THEN
       PressureAdaptiveBC(:,:) = AdaptBCAverageMacroVal(3,:,:)
@@ -2125,10 +2118,9 @@ SUBROUTINE CollRates(CRate)
 !===================================================================================================================================
 ! MODULES
 USE MOD_Globals
+USE MOD_Particle_Analyze_Vars ,ONLY: ParticleAnalyzeSampleTime
 USE MOD_DSMC_Vars             ,ONLY: CollInf, DSMC
-USE MOD_TimeDisc_Vars         ,ONLY: dt, iter
 USE MOD_Particle_Vars         ,ONLY: VarTimeStep
-USE MOD_Particle_Analyze_Vars ,ONLY: PartAnalyzeStep
 USE MOD_Particle_TimeStep     ,ONLY: GetSpeciesTimeStep
 ! IMPLICIT VARIABLE HANDLING
 IMPLICIT NONE
@@ -2156,26 +2148,14 @@ SUBROUTINE CollRates(CRate)
   DO iCase=1, CollInf%NumCase
     ! Species-specific time step
     IF(VarTimeStep%UseSpeciesSpecific.AND..NOT.VarTimeStep%DisableForMCC) THEN
-      dtVar = dt * GetSpeciesTimeStep(iCase)
+      dtVar = ParticleAnalyzeSampleTime * GetSpeciesTimeStep(iCase)
     ELSE
-      dtVar = dt
+      dtVar = ParticleAnalyzeSampleTime
     END IF
     CRate(iCase) =  DSMC%NumColl(iCase) / dtVar
   END DO
   ! Total collision rate is the sum of the case-specific rates
   CRate(CollInf%NumCase + 1) = SUM(CRate(1:CollInf%NumCase))
-  ! Consider Part-AnalyzeStep
-  IF(PartAnalyzeStep.GT.1)THEN
-    IF(PartAnalyzeStep.EQ.HUGE(PartAnalyzeStep))THEN
-      DO iCase=1, CollInf%NumCase + 1
-        CRate(iCase) = CRate(iCase) / iter
-      END DO ! iCase=1, CollInf%NumCase + 1
-    ELSE
-      DO iCase=1, CollInf%NumCase + 1
-        CRate(iCase) = CRate(iCase) / MIN(PartAnalyzeStep,iter)
-      END DO ! iCase=1, CollInf%NumCase + 1
-    END IF
-  END IF
 END IF
 
 DSMC%NumColl = 0.
@@ -2194,8 +2174,7 @@ SUBROUTINE CalcRelaxRates(NumSpec,VibRelaxProbCase)
 USE MOD_DSMC_Vars             ,ONLY: CollisMode, CollInf
 USE MOD_MCC_Vars              ,ONLY: SpecXSec, XSec_Relaxation
 USE MOD_Particle_Mesh_Vars    ,ONLY: MeshVolume
-USE MOD_TimeDisc_Vars         ,ONLY: dt, iter
-USE MOD_Particle_Analyze_Vars ,ONLY: PartAnalyzeStep
+USE MOD_Particle_Analyze_Vars ,ONLY: ParticleAnalyzeSampleTime
 USE MOD_Particle_TimeStep     ,ONLY: GetSpeciesTimeStep
 ! IMPLICIT VARIABLE HANDLING
 IMPLICIT NONE
@@ -2231,27 +2210,15 @@ SUBROUTINE CalcRelaxRates(NumSpec,VibRelaxProbCase)
         iCase = CollInf%Coll_Case(iSpec,jSpec)
         ! Species-specific time step
         IF(VarTimeStep%UseSpeciesSpecific.AND..NOT.VarTimeStep%DisableForMCC) THEN
-          dtVar = dt * GetSpeciesTimeStep(iCase)
+          dtVar = ParticleAnalyzeSampleTime * GetSpeciesTimeStep(iCase)
         ELSE
-          dtVar = dt
+          dtVar = ParticleAnalyzeSampleTime
         END IF
         VibRelaxProbCase(iCase) = SpecXSec(iCase)%VibCount * MPF_1 * MeshVolume &
                                   / (dtVar * MPF_1*NumSpec(iSpec) * MPF_2*NumSpec(jSpec))
       END DO
     END DO
   END IF
-  ! Consider Part-AnalyzeStep
-  IF(PartAnalyzeStep.GT.1) THEN
-    IF(PartAnalyzeStep.EQ.HUGE(PartAnalyzeStep))THEN
-      DO iCase = 1, CollInf%NumCase
-        VibRelaxProbCase(iCase) = VibRelaxProbCase(iCase) / iter
-      END DO
-    ELSE
-      DO iCase = 1, CollInf%NumCase
-        VibRelaxProbCase(iCase) = VibRelaxProbCase(iCase) / MIN(PartAnalyzeStep,iter)
-      END DO
-    END IF
-  END IF
 END IF
 SpecXSec(:)%VibCount = 0.
 
@@ -2267,8 +2234,7 @@ SUBROUTINE CalcRelaxRatesElec(ElecRelaxRate)
 USE MOD_Particle_Vars         ,ONLY: VarTimeStep
 USE MOD_DSMC_Vars             ,ONLY: CollInf
 USE MOD_MCC_Vars              ,ONLY: SpecXSec
-USE MOD_TimeDisc_Vars         ,ONLY: dt, iter
-USE MOD_Particle_Analyze_Vars ,ONLY: PartAnalyzeStep
+USE MOD_Particle_Analyze_Vars ,ONLY: ParticleAnalyzeSampleTime
 USE MOD_Particle_TimeStep     ,ONLY: GetSpeciesTimeStep
 ! IMPLICIT VARIABLE HANDLING
 IMPLICIT NONE
@@ -2308,21 +2274,13 @@ SUBROUTINE CalcRelaxRatesElec(ElecRelaxRate)
     IF(SpecXSec(iCase)%UseElecXSec) THEN
       ! Species-specific time step
       IF(VarTimeStep%UseSpeciesSpecific.AND..NOT.VarTimeStep%DisableForMCC) THEN
-        dtVar = dt * GetSpeciesTimeStep(iCase)
+        dtVar = ParticleAnalyzeSampleTime * GetSpeciesTimeStep(iCase)
       ELSE
-        dtVar = dt
+        dtVar = ParticleAnalyzeSampleTime
       END IF
       ElecRelaxRate(iCase,:) =  ElecRelaxRate(iCase,:) / dtVar
     END IF
   END DO
-  ! Consider Part-AnalyzeStep
-  IF(PartAnalyzeStep.GT.1)THEN
-    IF(PartAnalyzeStep.EQ.HUGE(PartAnalyzeStep))THEN
-      ElecRelaxRate = ElecRelaxRate / iter
-    ELSE
-      ElecRelaxRate = ElecRelaxRate / MIN(PartAnalyzeStep,iter)
-    END IF
-  END IF
 END IF
 
 DO iCase=1, CollInf%NumCase
@@ -2342,11 +2300,10 @@ SUBROUTINE ReacRates(NumSpec, RRate)
 !===================================================================================================================================
 ! MODULES
 USE MOD_Globals
+USE MOD_Particle_Analyze_Vars ,ONLY: ParticleAnalyzeSampleTime
 USE MOD_DSMC_Vars             ,ONLY: ChemReac, DSMC
-USE MOD_TimeDisc_Vars         ,ONLY: dt, iter
 USE MOD_Particle_Vars         ,ONLY: Species, nSpecies, VarTimeStep
 USE MOD_Particle_Mesh_Vars    ,ONLY: MeshVolume
-USE MOD_Particle_Analyze_Vars ,ONLY: PartAnalyzeStep
 USE MOD_Particle_TimeStep     ,ONLY: GetSpeciesTimeStep
 ! IMPLICIT VARIABLE HANDLING
 IMPLICIT NONE
@@ -2378,9 +2335,9 @@ SUBROUTINE ReacRates(NumSpec, RRate)
     iCase = ChemReac%ReactCase(iReac)
     ! Species-specific time step
     IF(VarTimeStep%UseSpeciesSpecific.AND..NOT.VarTimeStep%DisableForMCC) THEN
-      dtVar = dt * GetSpeciesTimeStep(iCase)
+      dtVar = ParticleAnalyzeSampleTime * GetSpeciesTimeStep(iCase)
     ELSE
-      dtVar = dt
+      dtVar = ParticleAnalyzeSampleTime
     END IF
     IF ((NumSpec(ChemReac%Reactants(iReac,1)).GT.0).AND.(NumSpec(ChemReac%Reactants(iReac,2)).GT.0)) THEN
       IF(ChemReac%Reactants(iReac,3).NE.0) THEN
@@ -2420,18 +2377,6 @@ SUBROUTINE ReacRates(NumSpec, RRate)
 ChemReac%NumReac = 0.
 ChemReac%ReacCount = 0
 ChemReac%ReacCollMean = 0.0
-! Consider Part-AnalyzeStep
-IF(PartAnalyzeStep.GT.1)THEN
-  IF(PartAnalyzeStep.EQ.HUGE(PartAnalyzeStep))THEN
-    DO iReac=1, ChemReac%NumOfReact
-      RRate(iReac) = RRate(iReac) / iter
-    END DO ! iReac=1, ChemReac%NumOfReact
-  ELSE
-    DO iReac=1, ChemReac%NumOfReact
-      RRate(iReac) = RRate(iReac) / REAL(MIN(PartAnalyzeStep,iter))
-    END DO ! iReac=1, ChemReac%NumOfReact
-  END IF
-END IF
 
 END SUBROUTINE ReacRates
 #endif