Merge branch 'fix.speciesTimestep.BPO' into 'master.dev'

[fix.speciesTimestep.BPO] Fix of BoundaryParticleOutput in combination with species-specific time step

Closes #260

See merge request piclas/piclas!931

REGGIE.md

@@ -53,6 +53,7 @@ Small test cases to check features with DSMC timedisc: [Link to build](regressio
 |         |                BC_PorousBC                |                  |                                                  PorousBC as a pump with 2 species, hard compiled N=1                                                  |     nProcs=3      |     Total # of removed part through BC     |                                                                                      |
 |         |             BC_PorousBC_2DAxi             |                  |                           PorousBC as a pump with 2 species (axisymmetric, with/without radial weighting), hard compiled N=1                           |    nProcs=1,2     |            Total number density            |             [Link](regressioncheck/CHE_DSMC/BC_PorousBC_2DAxi/readme.md)             |
 |         |           BC_RotationalPeriodic           |                  |                                         Rotationally periodic BC with "worst-case" mesh based on tetrahedrons                                          |    nProcs=1,5     |              Particle number               |           [Link](regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md)           |
+|         |            BPO_SpeciesTimeStep            |                  |                                                 Species-specific time step with BoundaryParticleOutput                                                 |     nProcs=4      |        PartAnalyze, SurfaceAnalyze         |           [Link](regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/readme.md)           |
 |         |                   cube                    |                  |                                                           Collismode=2,3, hard compiled N=1                                                            |     nProcs=2      |                                            |                                                                                      |
 |         |    Rotational_Reference_Frame_Regions     |                  |                            Rotational reference frame with several regions, switching between stationary and rotating frame                            |  nProcs=1,2,3,4   |            Particle trajectory             |    [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md)     |
 |         |     Rotational_Reference_Frame_RotBC      |                  |                                      Rotational reference frame in combination with the rotationally periodic BC                                       |  nProcs=1,2,3,4   |            Particle trajectory             |     [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md)      |

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/PartAnalyze_ref.csv

@@ -0,0 +1,3 @@
+001-TIME,002-Current-Spec-001-SF-001
+0.0000000000000000E+000,0.0000000000000000E+000
+0.1000000000000000E-008,0.2000000166752067E+001

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/SurfaceAnalyze_ref.csv

@@ -0,0 +1,3 @@
+001-TIME,002-Flux-Spec-001-BC_Xplus,003-TotalElectricCurrent-BC_Xplus
+0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000
+0.1000000000000000E-008,0.1248281052631579E+020,-.1999966605370011E+001

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/analyze.ini

@@ -0,0 +1,6 @@
+! compare the last line of PartAnalyze.csv with a reference file
+compare_data_file_name      = PartAnalyze.csv, SurfaceAnalyze.csv
+compare_data_file_reference = PartAnalyze_ref.csv, SurfaceAnalyze_ref.csv
+compare_data_file_tolerance = 1e-3
+compare_data_file_tolerance_type = relative
+compare_data_file_one_diff_per_run=F

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/command_line.ini

@@ -0,0 +1,2 @@
+MPI=4
+database = ../../../SpeciesDatabase.h5

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/externals.ini

@@ -0,0 +1,6 @@
+! --- Externals Tool Reggie
+MPI               = 1
+externalbinary    = ./hopr/build/bin/hopr
+externaldirectory = hopr.ini
+externalruntime   = pre
+cmd_suffix        =

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/hopr.ini

@@ -0,0 +1,39 @@
+ProjectName  = channel
+Debugvisu    = T
+DebugVisuLevel=1
+NVisu        =1
+Mode         =1
+
+DEFVAR = (REAL):   minus_x = 0.0
+DEFVAR = (REAL):   plus_x = 10.0
+
+DEFVAR = (REAL):   minus_y = 0.0
+DEFVAR = (REAL):   plus_y = 1.0
+
+DEFVAR = (REAL):   minus_z = 0.0
+DEFVAR = (REAL):   plus_z = 1.0
+
+Corner   =(/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /)
+nElems   =(/2,2,2/)
+elemtype =108
+
+BCIndex  =(/6 ,4 ,1 ,3 ,2 ,5/)
+!        =(/z-,y-,x+,y+,x-,z+/)
+nZones = 1
+nUserDefinedBoundaries=6
+BoundaryName=BC_Xplus
+BoundaryType=(/3,0,0,0/)
+BoundaryName=BC_Xminus
+BoundaryType=(/3,0,0,0/)
+BoundaryName=BC_Yplus
+BoundaryType=(/4,0,0,0/)
+BoundaryName=BC_Yminus
+BoundaryType=(/4,0,0,0/)
+BoundaryName=BC_Zplus
+BoundaryType=(/4,0,0,0/)
+BoundaryName=BC_Zminus
+BoundaryType=(/4,0,0,0/)
+
+postscalemesh=true
+meshscale=1e-5
+jacobiantolerance=1e-20

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/parameter.ini

@@ -0,0 +1,109 @@
+IniExactFunc  = 0
+N             = 1  ! Polynomial degree
+NAnalyze      = 1  ! Number of analyze points
+! =============================================================================== !
+! PICLAS2VTK
+! =============================================================================== !
+NVisu         = 1
+VisuParticles    = T
+TimeStampLength  = 14
+! =============================================================================== !
+! MESH
+! =============================================================================== !
+MeshFile      = channel_mesh.h5
+useCurveds    = F
+! if boundaries have to be changed (else they are used from Mesh directly):
+TrackingMethod = triatracking
+! =============================================================================== !
+! OUTPUT / VISUALIZATION
+! =============================================================================== !
+ProjectName      = SurfFlux_Tria_EmissionCurrent
+IterDisplayStep  = 20
+Part-AnalyzeStep = 20
+Surface-AnalyzeStep = 20
+CalcSurfFluxInfo = T
+! =============================================================================== !
+! CALCULATION
+! =============================================================================== !
+tend            = 1.0E-9
+Analyze_dt      = 1.0E-9
+! =============================================================================== !
+! Load Balance
+! =============================================================================== !
+DoLoadBalance           = T
+DoInitialAutoRestart    = T
+Load-DeviationThreshold = 1e-9
+! =============================================================================== !
+! PARTICLE BOUNDARY
+! =============================================================================== !
+Part-nBounds=6
+Part-Boundary1-SourceName=BC_Xplus
+Part-Boundary1-Condition=open
+Part-Boundary2-SourceName=BC_Xminus
+Part-Boundary2-Condition=reflective
+Part-Boundary3-SourceName=BC_Yplus
+Part-Boundary3-Condition=reflective
+Part-Boundary4-SourceName=BC_Yminus
+Part-Boundary4-Condition=reflective
+Part-Boundary5-SourceName=BC_Zplus
+Part-Boundary5-Condition=symmetric
+Part-Boundary6-SourceName=BC_Zminus
+Part-Boundary6-Condition=symmetric
+Part-FIBGMdeltas=(/1e-5,5e-6,5e-6/)
+
+CalcBoundaryParticleOutput = T
+BPO-NPartBoundaries        = 1
+BPO-PartBoundaries         = (/1/)
+BPO-NSpecies               = 1
+BPO-Species                = (/1/)
+! =============================================================================== !
+! DISCRETIZATION
+! =============================================================================== !
+Part-maxParticleNumber=500000
+Part-Species$-MacroParticleFactor = 5E3,1E4
+
+ManualTimeStep  = 5.0000E-11
+Part-Species1-TimeStepFactor = 0.2,0.5
+! =============================================================================== !
+! SPECIES
+! =============================================================================== !
+Part-nSpecies = 2
+Particles-Species-Database = SpeciesDatabase.h5
+! =============================================================================== !
+! Species1 - electron
+! =============================================================================== !
+Part-Species1-SpeciesName         = electron
+Part-Species1-UseCollXSec         = T
+
+Part-Species1-nSurfaceFluxBCs=1
+Part-Species1-Surfaceflux1-BC=2
+Part-Species1-Surfaceflux1-VeloIC = 1E7
+Part-Species1-Surfaceflux1-VeloVecIC = (/1,0,0/)
+Part-Species1-Surfaceflux1-velocityDistribution = maxwell_lpn
+Part-Species1-Surfaceflux1-MWTemperatureIC = 5.
+Part-Species1-Surfaceflux1-EmissionCurrent = 2.
+! =============================================================================== !
+! Species2 - Argon
+! =============================================================================== !
+Part-Species2-SpeciesName       = Ar
+
+Part-Species2-nInits                      = 1
+Part-Species2-Init1-SpaceIC               = background
+Part-Species2-Init1-velocityDistribution  = maxwell_lpn
+Part-Species2-Init1-MWTemperatureIC       = 300
+Part-Species2-Init1-PartDensity           = 1E10
+Part-Species2-Init1-VeloIC                = 0
+Part-Species2-Init1-VeloVecIC             = (/0.,0.,1./)
+! =============================================================================== !
+! DSMC
+! =============================================================================== !
+Particles-HaloEpsVelo=5.0E+07
+Particles-DSMC-CalcSurfaceVal=F
+UseDSMC=true
+Particles-DSMC-CollisMode = 2
+Part-NumberOfRandomSeeds=2
+Particles-RandomSeed1=1
+Particles-RandomSeed2=2
+Particles-DSMC-UseOctree=F
+Particles-DSMC-UseNearestNeighbour = F
+Particles-DSMC-CalcQualityFactors =  F

regressioncheck/CHE_DSMC/BPO_SpeciesTimeStep/readme.md

@@ -0,0 +1,4 @@
+# Boundary Particle Output with Species Time Step
+* Particle emission using surface flux by defining an emission current of 2A
+* Species specific time step for the electrons (factor 0.2)
+* Check whether the resulting current at the oppsite boundary is determined correctly