Adapted nightly regression tests to be robust against statistics

regressioncheck/NIG_Reservoir/CHEM_RATES_diss_recomb_CO2/analyze.ini

@@ -1,5 +1,5 @@
 compare_data_file_name           = PartAnalyze.csv
-compare_data_file_reference      = Database_Tvib_05000_ref.csv,Database_Tvib_07500_ref.csv,Database_Tvib_10000_ref.csv,Database_Tvib_12500_ref.csv,Database_Tvib_15000_ref.csv
+compare_data_file_reference      = Database_Tvib_07500_ref.csv,Database_Tvib_10000_ref.csv,Database_Tvib_12500_ref.csv,Database_Tvib_15000_ref.csv
 compare_data_file_tolerance      = 0.1
 compare_data_file_tolerance_type = relative
 compare_data_file_max_differences = 1

regressioncheck/NIG_Reservoir/CHEM_RATES_diss_recomb_CO2/parameter.ini

@@ -7,21 +7,16 @@ IniExactFunc  = 0
 ! DISCRETIZATION
 ! =============================================================================== !
 N             = 1  ! Polynomial degree
-GeometricNGeo = 1  ! Degree of mesh representation
 NAnalyze      = 1  ! Number of analyze points
-
 ! =============================================================================== !
 ! MESH
 ! =============================================================================== !
 MeshFile      = cube_mesh.h5 
 useCurveds    = F
-! if boundaries have to be changed (else they are used from Mesh directly):
-
 ! =============================================================================== !
 ! OUTPUT / VISUALIZATION
 ! =============================================================================== !
 ProjectName   = feature_dissoc_rate
-NVisu         = 1    ! Number of visualization points
 IterDisplayStep  = 100
 Part-AnalyzeStep = 200
 CalcTemp      = FALSE
@@ -36,20 +31,23 @@ tend       = 2E-6  ! End time
 Analyze_dt = 2E-6  ! Timestep of analyze outputs
 CFLscale   = 0.2  ! Scaling of theoretical CFL number
 ! =============================================================================== !
-! PARTICLES
+! BOUNDARY CONDITIONS
 ! =============================================================================== !
-Part-maxParticleNumber=500000
-Part-nSpecies=3
 Part-nBounds=1
 Part-Boundary1-SourceName=BC_adiabat
 Part-Boundary1-Condition=reflective
 Part-FIBGMdeltas=(/1.16E-6,1.16E-6,1.16E-6/)
 ! =============================================================================== !
+! PARTICLES
+! =============================================================================== !
+Part-maxParticleNumber=30000
+Part-nSpecies=3
+Part-Species$-MacroParticleFactor=1E2
+! =============================================================================== !
 ! Species1 - CO2
 ! =============================================================================== !
 Part-Species1-MassIC=7.30800E-26     ! CO2 Molecular Mass
 Part-Species1-ChargeIC=0
-Part-Species1-MacroParticleFactor=1E2
 
 Part-Species1-nInits=1
 Part-Species1-Init1-SpaceIC=cuboid
@@ -70,7 +68,6 @@ Part-Species1-Init1-TempRot=crosscombinations
 ! =============================================================================== !
 Part-Species2-MassIC=4.65100E-26     ! CO Molecular Mass
 Part-Species2-ChargeIC=0
-Part-Species2-MacroParticleFactor=1E2
 
 Part-Species2-nInits=1
 Part-Species2-Init1-SpaceIC=cuboid
@@ -91,7 +88,6 @@ Part-Species2-Init1-TempRot=crosscombinations
 ! =============================================================================== !
 Part-Species3-MassIC=2.65700E-26     ! O Molecular Mass
 Part-Species3-ChargeIC=0
-Part-Species3-MacroParticleFactor=1E2
 
 Part-Species3-nInits=1
 Part-Species3-Init1-SpaceIC=cuboid
@@ -105,8 +101,6 @@ Part-Species3-Init1-CuboidHeightIC=4.64E-6
 Part-Species3-Init1-VeloIC=0
 Part-Species3-Init1-VeloVecIC=(/0.,0.,1./)
 Part-Species3-Init1-MWTemperatureIC=crosscombinations
-Part-Species3-Init1-TempVib=crosscombinations
-Part-Species3-Init1-TempRot=crosscombinations
 ! =============================================================================== !
 ! DSMC
 ! =============================================================================== !
@@ -128,4 +122,4 @@ Particles-DSMC-ElectronicModel  = 0
 Particles-DSMCElectronicDatabase = DSMCSpecies_electronic_state_full_Data.h5
 EpsMergeElectronicState = 0.0
 
-crosscombinations=5000,7500,10000,12500,15000
+crosscombinations=7500,10000,12500,15000

regressioncheck/NIG_Reservoir/MCC_BGG_MultiSpec_XSec_Vib/DSMC.ini

@@ -4,81 +4,56 @@
 Part-Species1-SpeciesName       = CO2
 Part-Species1-PolyatomicMol     = true
 Part-Species1-InteractionID     = 2
-Part-Species1-Tref  = 273
-Part-Species1-dref  = 5.10E-10
-Part-Species1-omega          = 0.24
+Part-Species1-Tref              = 273
+Part-Species1-dref              = 5.10E-10
+Part-Species1-omega             = 0.24
 Part-Species1-NumOfAtoms        = 3
 Part-Species1-LinearMolec       = true
 Part-Species1-CharaTempVib1     = 959.66
 Part-Species1-CharaTempVib2     = 959.66
 Part-Species1-CharaTempVib3     = 1918.6
 Part-Species1-CharaTempVib4     = 3382
 Part-Species1-Ediss_eV          = 5.45
-Part-Species1-HeatOfFormation_K = -47324.1
 ! =============================================================================== !
 ! Species2, N2
 ! =============================================================================== !
 Part-Species2-SpeciesName       = N2
 Part-Species2-InteractionID     = 2
-Part-Species2-Tref  = 273
-Part-Species2-dref  = 4.17E-10
-Part-Species2-omega          = 0.24
+Part-Species2-Tref              = 273
+Part-Species2-dref              = 4.17E-10
+Part-Species2-omega             = 0.24
 Part-Species2-CharaTempVib      = 3393.3
 Part-Species2-Ediss_eV          = 9.759
 Part-Species2-CharaTempRot      = 2.87
-Part-Species2-HeatOfFormation_K = 0.0
 ! =============================================================================== !
 ! Species3, He
 ! =============================================================================== !
 Part-Species3-SpeciesName       = He
 Part-Species3-InteractionID     = 1
-Part-Species3-Tref  = 273 ! changed randomly from 300
-Part-Species3-dref  = 3.0E-10
-Part-Species3-omega          = 0.24 ! changed randomly from 0.2
-Part-Species3-HeatOfFormation_K = 0.0
+Part-Species3-Tref              = 273
+Part-Species3-dref              = 3.0E-10
+Part-Species3-omega             = 0.24
 ! =============================================================================== !
 ! Species4, e
 ! =============================================================================== !
 Part-Species4-SpeciesName       = electron
 Part-Species4-InteractionID     = 4
-Part-Species4-Tref  = 273
-Part-Species4-dref  = 2.817920E-15
-Part-Species4-omega          = 0.24
+Part-Species4-Tref              = 273
+Part-Species4-dref              = 2.817920E-15
+Part-Species4-omega             = 0.24
 ! =============================================================================== !
 ! Species5, CO2^+
 ! =============================================================================== !
 Part-Species5-SpeciesName       = CO2Ion1
 Part-Species5-PolyatomicMol     = true
 Part-Species5-InteractionID     = 20
-Part-Species5-Tref  = 273      ! copied from CO2
-Part-Species5-dref  = 5.10E-10 ! copied from CO2
-Part-Species5-omega          = 0.24     ! copied from CO2
+Part-Species5-Tref              = 273      ! copied from CO2
+Part-Species5-dref              = 5.10E-10 ! copied from CO2
+Part-Species5-omega             = 0.24     ! copied from CO2
 Part-Species5-NumOfAtoms        = 3
 Part-Species5-LinearMolec       = true
 Part-Species5-CharaTempVib1     = 959.66   ! copied from CO2
 Part-Species5-CharaTempVib2     = 959.66   ! copied from CO2
 Part-Species5-CharaTempVib3     = 1918.6   ! copied from CO2
 Part-Species5-CharaTempVib4     = 3382     ! copied from CO2
-Part-Species5-Ediss_eV          = 5.45     ! copied from CO2
-Part-Species5-PreviousState     = 1
-! =============================================================================== !
-! Species6, N_2^+
-! =============================================================================== !
-Part-Species6-SpeciesName       = N2Ion1
-Part-Species6-InteractionID     = 20
-Part-Species6-Tref  = 273
-Part-Species6-dref  = 4.17E-10
-Part-Species6-omega          = 0.24
-Part-Species6-CharaTempVib      = 3174.7
-Part-Species6-Ediss_eV          = 8.712 ! Herzberg 
-Part-Species6-CharaTempRot      = 2.8
-Part-Species6-PreviousState     = 2
-! =============================================================================== !
-! Species7, He+
-! =============================================================================== !
-Part-Species7-SpeciesName       = HeIon1
-Part-Species7-InteractionID     = 10
-Part-Species7-Tref  = 273
-Part-Species7-dref  = 3.0E-10
-Part-Species7-omega          = 0.24
-Part-Species7-PreviousState     = 3
+Part-Species5-Ediss_eV          = 5.45     ! copied from CO2

regressioncheck/NIG_Reservoir/MCC_BGG_MultiSpec_XSec_Vib/analyze.ini

@@ -1,4 +1,5 @@
 compare_data_file_name           = PartAnalyze.csv
 compare_data_file_reference      = Database_Tvib_00773000_ref.csv,Database_Tvib_00859000_ref.csv,Database_Tvib_00938000_ref.csv,Database_Tvib_01030000_ref.csv,Database_Tvib_01130000_ref.csv,Database_Tvib_01260000_ref.csv,Database_Tvib_01450000_ref.csv,Database_Tvib_01680000_ref.csv,Database_Tvib_02050000_ref.csv,Database_Tvib_02450000_ref.csv,Database_Tvib_02970000_ref.csv,Database_Tvib_04190000_ref.csv
-compare_data_file_tolerance      = 0.15
-compare_data_file_tolerance_type = relative
+compare_data_file_tolerance      = 0.10
+compare_data_file_tolerance_type = relative
+compare_data_file_max_differences = 1

regressioncheck/NIG_Reservoir/MCC_BGG_MultiSpec_XSec_Vib/hopr.ini

@@ -34,10 +34,4 @@
 !=============================================================================== !
 ! BASIS
 !=============================================================================== !
-  NVisu         = 7
-
-!=============================================================================== !
-! SEARCH
-!=============================================================================== !
-!  nElemsNodeSearch=50
-!  RefineSideSearch=50
+  NVisu         = 7

regressioncheck/NIG_Reservoir/MCC_BGG_MultiSpec_XSec_Vib/parameter.ini

@@ -26,8 +26,8 @@ Analyze_dt                = 1E-7  ! Timestep of analyze outputs
 ! =============================================================================== !
 ! PARTICLES
 ! =============================================================================== !
-Part-maxParticleNumber=5000000
-Part-nSpecies=7
+Part-maxParticleNumber=2000000
+Part-nSpecies=5
 Part-nBounds=1
 Part-Boundary1-SourceName=BC_adiabat
 Part-Boundary1-Condition=reflective
@@ -56,13 +56,7 @@ crosscombinations=773000,859000,938000,1030000,1130000,1260000,1450000,1680000,2
 ! =============================================================================== !
 ! Weighting Factor
 ! =============================================================================== !
-Part-Species1-MacroParticleFactor   = 0.1
-Part-Species2-MacroParticleFactor   = 0.1
-Part-Species3-MacroParticleFactor   = 0.1
-Part-Species4-MacroParticleFactor   = 0.1
-Part-Species5-MacroParticleFactor   = 0.1
-Part-Species6-MacroParticleFactor   = 0.1
-Part-Species7-MacroParticleFactor   = 0.1
+Part-Species$-MacroParticleFactor   = 0.1
 ! =============================================================================== !
 ! Species1 | CO2
 ! =============================================================================== !
@@ -78,7 +72,6 @@ Part-Species1-Init1-VeloVecIC              = (/0.,1.,0./)
 Part-Species1-Init1-MWTemperatureIC        = 1000.
 Part-Species1-Init1-TempVib                = crosscombinations
 Part-Species1-Init1-TempRot                = 1000.
-Part-Species1-Init1-TempElec               = 1000.
 ! =============================================================================== !
 ! Species2 | N2
 ! =============================================================================== !
@@ -94,7 +87,6 @@ Part-Species2-Init1-VeloVecIC              = (/0.,0.,1./)
 Part-Species2-Init1-MWTemperatureIC        = 1000.
 Part-Species2-Init1-TempVib                = 1000.
 Part-Species2-Init1-TempRot                = 1000.
-Part-Species2-Init1-TempElec               = 1000.
 ! =============================================================================== !
 ! Species3 | He
 ! =============================================================================== !
@@ -108,7 +100,6 @@ Part-Species3-Init1-SpaceIC                = background
 Part-Species3-Init1-VeloIC                 = 0
 Part-Species3-Init1-VeloVecIC              = (/0.,0.,1./)
 Part-Species3-Init1-MWTemperatureIC        = 1000.
-Part-Species3-Init1-Tempelec               = 1000.
 ! =============================================================================== !
 ! Species4 | e
 ! =============================================================================== !
@@ -135,15 +126,4 @@ Part-Species5-Init1-VeloIC                 = 0.
 Part-Species5-Init1-VeloVecIC              = (/0.,1.,0./)
 Part-Species5-Init1-MWTemperatureIC        = 1000.
 Part-Species5-Init1-TempVib                = 1000.
-Part-Species5-Init1-TempRot                = 1000.
-Part-Species5-Init1-TempElec               = 1000.
-! =============================================================================== !
-! Species6 | N2Ion
-! =============================================================================== !
-Part-Species6-ChargeIC               = 1.60217653E-19
-Part-Species6-MassIC                 = 4.651908906174E-26 ! N2 mass minus electron mass
-! =============================================================================== !
-! Species7 | HeIon
-! =============================================================================== !
-Part-Species7-ChargeIC               = 1.60217653E-19
-Part-Species7-MassIC                 = 6.645565470903E-027
+Part-Species5-Init1-TempRot                = 1000.

regressioncheck/NIG_Reservoir/VarRelaxProb_cold/DSMCSpecies.ini

@@ -9,13 +9,8 @@ Part-Species1-omega=0.24
 Part-Species1-CharaTempVib=3393.3
 Part-Species1-Ediss_eV=9.759
 Part-Species1-CharaTempRot = 2.87
-Part-Species1-SymmetryFactor = 2
-Part-Species1-HeatOfFormation_K=0.0
 Part-Species1-CollNumRotInf=23.3
 Part-Species1-TempRefRot=91.5
 Part-Species1-VibCrossSection=1e-19
-!Part-Species1-CollNumVib=8.3e10
-!Part-Species1-MWConst-1-1=220.
-!Part-Species1-CollNumVib=-12.27
 Part-Species1-MWConstA-1-1=220.
 Part-Species1-MWConstB-1-1=-12.27

regressioncheck/NIG_Reservoir/VarRelaxProb_cold/parameter.ini

@@ -17,6 +17,7 @@ TrackingMethod = triatracking
 ! =============================================================================== !
 ProjectName    = Cube
 IterDisplayStep = 200
+Part-AnalyzeStep = 20
 CalcTemp=true
 ! =============================================================================== !
 ! CALCULATION
@@ -53,7 +54,7 @@ Part-Species1-Init1-TempRot=10000.
 ! DSMC
 ! =============================================================================== !
 ManualTimeStep=5.000E-6
-Particles-HaloEpsVelo=1.0E+06
+Particles-HaloEpsVelo=1.0E+04
 Part-WriteMacroValues=F
 Particles-DSMC-SelectionProcedure=1
 Particles-DSMC-RotRelaxProb=2.0
@@ -65,7 +66,7 @@ Particles-DSMC-CollisMode=2 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1
 Particles-RandomSeed2=2
-Particles-DSMC-UseOctree=true
-Particles-DSMC-UseNearestNeighbour = T
+Particles-DSMC-UseOctree=F
+Particles-DSMC-UseNearestNeighbour = F
 
 Particles-DSMCReservoirSim         = T