Merge branch '166-reservoir-dsmc-method-and-nearest-neighbour' into '…

…master.dev' Resolve "Reservoir DSMC method and nearest neighbour" Closes #166 See merge request piclas/piclas!868
piclas-framework · Oct 30, 2023 · fea602f · fea602f
2 parents 4052576 + 72e5363
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diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
@@ -463,10 +463,10 @@ CHE_FPFlow:
 # Stage "reggie_DSMC_nightly": Build and run chemistry examples on nightly (check reaction rates in RESERVOIR simulation)
 # ----------------------------------------------------------------------------------------------------------------------------------------------------
 NIG_Reservoir:
-  <<: *defaults_nightly
+  <<: *defaults_DSMC_nightly
   stage: reggie_DSMC_nightly
   script:
-    - cd build/ ; python ../reggie/reggie.py ../regressioncheck/NIG_Reservoir
+    - cd build_DSMC_release/ ; python ../reggie/reggie.py ../regressioncheck/NIG_Reservoir -e bin/piclas
 
 # ----------------------------------------------------------------------------------------------------------------------------------------------------
 # Stage "reggie_DSMC_nightly": Build and run tracking examples on nightly
@@ -742,10 +742,10 @@ WEK_DSMC:
     - cd build_DSMC_release ;  python ../reggie/reggie.py ../regressioncheck/WEK_DSMC -e bin/piclas
 
 WEK_Reservoir:
-  <<: *defaults_weekly
+  <<: *defaults_DSMC_weekly
   stage: reggie_weekly
   script:
-    - cd build ;  python ../reggie/reggie.py ../regressioncheck/WEK_Reservoir
+    - cd build_DSMC_release ;  python ../reggie/reggie.py ../regressioncheck/WEK_Reservoir -e bin/piclas
 
 WEK_FPFlow:
   <<: *defaults_weekly

diff --git a/docs/documentation/userguide/tutorials/dsmc-reservoir/dsmc-reservoir.md b/docs/documentation/userguide/tutorials/dsmc-reservoir/dsmc-reservoir.md
@@ -33,7 +33,7 @@ Order of the corners to define the used mesh. The first node is placed at the or
 Afterwards this element is scaled via
 
     postScaleMesh  = T
-    meshScale      = 4.64E-6 
+    meshScale      = 4.64E-6
 
 The number of mesh elements for the block in each direction can be adjusted by changing the line
 
@@ -58,13 +58,13 @@ For more information about hopr, visit [https://github.com/hopr-framework/hopr](
 
 Install **piclas** by compiling the source code as described in Chapter {ref}`userguide/installation:Installation` and make sure to set the correct compile flags (ie. chose the correct simulation method)
 
-    PICLAS_TIMEDISCMETHOD = RESERVOIR
+    PICLAS_TIMEDISCMETHOD = DSMC
 
 or simply run the following command from inside the *build* directory
 
-    cmake ../ -DPICLAS_TIMEDISCMETHOD=RESERVOIR
+    cmake ../ -DPICLAS_TIMEDISCMETHOD=DSMC
 
-to configure the build process and run `make` afterwards to build the executable. For this setup, the reservoir method, which is based on the DSMC method, is needed to allow for reservoir specific settings. It is recommended to either utilize a separate build folder (e.g. build_DSMC/) or to delete the contents of the folder beforehand to avoid conflicts between different compiler options (e.g. the setting `PICLAS_EQNSYSNAME = poisson` from the plasma wave tutorial is in conflict with the DSMC method). An overview over the available solver and discretization options is given in Section {ref}`sec:solver-settings`. The physical parameters for this test case are summarized in {numref}`tab:dsmc_chem_off_phys`.
+to configure the build process and run `make` afterwards to build the executable. It is recommended to either utilize a separate build folder (e.g. build_DSMC/) or to delete the contents of the folder beforehand to avoid conflicts between different compiler options (e.g. the setting `PICLAS_EQNSYSNAME = poisson` from the plasma wave tutorial is in conflict with the DSMC method). An overview over the available solver and discretization options is given in Section {ref}`sec:solver-settings`. The physical parameters for this test case are summarized in {numref}`tab:dsmc_chem_off_phys`.
 
 ```{table} Physical properties at the simulation start
 ---
@@ -109,14 +109,14 @@ where, the path to the mesh file `MeshFile`, project name and particle tracking
 where the final simulation time `tend` [s], the time step for the field and particle solver is set via `ManualTimeStep` [s]. The time between restart/checkpoint file output is defined via `Analyze_dt` (which is also the output time for specific analysis functions in the field solver context). The number of time step iterations `IterDisplayStep` defines the interval between information output regarding the current status of the simulation, which is written to std.out. The `Particles-HaloEpsVelo` [m/s] determines the size of the halo region for MPI communication and should not be smaller than the fastest particles in the simulation.
 
 (sec:tutorial-dsmc-analysis-setup)=
-### Analysis setup 
+### Analysis setup
 
 For this case our focus is on the run-time analysis to investigate the transient behavior of the reservoir. The first parameter `Part-AnalyzeStep` allows to perform the output every N$^\text{th}$ iteration to reduce the size of the output file and to increase the computational speed. Different parameters for run-time analysis can be enabled, in this case the number of particles per species (`CalcNumSpec`) and the temperature output (`CalcTemp`). It is also recommended to enable `Particles-DSMC-CalcQualityFactors`, which provides outputs to evaluate the quality of the simulation results such as the mean and maximum collision probabilities. The parameter `TimeStampLength = 13` reduces the output filename length. It can be needed for postprocessing, as e.g. ParaView sometimes does not sort the files correctly if the timestamps are too long. The displayed time solution would then be faulty.
 
     ! =============================================================================== !
     ! Particle Analysis
     ! =============================================================================== !
-    
+
     Part-AnalyzeStep = 1
     CalcNumSpec = T
     CalcTemp    = T
@@ -188,8 +188,7 @@ $$ N_{\text{CO}_2,\text{sim}} = \frac{n_{\text{CO}_2} V}{w_{\text{CO}_2}} $$
 (sec:tutorial-dsmc-dsmc-setup)=
 ### DSMC setup
 
-Finally, DSMC has to be enabled (`UseDSMC = T`) and the particle movement is disabled via `Particles-DSMCReservoirSim = T` to reduce the computational effort. Keep in mind that the latter needs a compiled 
-version of piclas using `PICLAS_TIMEDISCMETHOD = RESERVOIR`. Besides these settings `Particles-DSMC-CollisMode` is an important parameter. If set to 1, only elastic collisions 
+Finally, DSMC has to be enabled (`UseDSMC = T`) and the particle movement is disabled via `Particles-DSMCReservoirSim = T` to reduce the computational effort. Besides these settings `Particles-DSMC-CollisMode` is an important parameter. If set to 1, only elastic collisions
 are performed, if set to 2 relaxation processes are allowed and if set to 3 chemistry is enabled. Additionally, constant values for the rotational (`Particles-DSMC-RotRelaxProb`) and vibrational (`Particles-DSMC-VibRelaxProb`) relaxation probabilities are defined.
 
     ! =============================================================================== !
@@ -199,7 +198,7 @@ are performed, if set to 2 relaxation processes are allowed and if set to 3 chem
     Particles-DSMCReservoirSim  = T
     Particles-DSMC-CollisMode   = 2
     Particles-DSMC-RotRelaxProb = 0.2
-    Particles-DSMC-VibRelaxProb = 0.02 
+    Particles-DSMC-VibRelaxProb = 0.02
 
 Besides the data given in the **parameter.ini**, a proper DSMC simulation needs additional species information, which is defined in the **DSMC.ini**. The species numeration needs to be the same in both files.
 
@@ -342,7 +341,7 @@ Therefore, in this example with one reaction and each of the three species as po
 In order to investigate the transient behavior, a longer simulation time was chosen. This results in comparatively long computing times, which is why the use of several computing cores is recommended. The number of cores may not exceed the number of cells. This results in a maximum of 4 cores for the described simulation. Another important note is that bash does not understand aliases which are not at the start of a line. Thus a copy of the **piclas** binary must be located in the current folder
 
     cp $PICLAS_PATH/build/bin/piclas .
-    
+
 or the whole path to the binary must be used instead. Assuming a run with 4 cores is desired and the **piclas** binary is located at the current directory, the command
 
     mpirun -np 4 piclas parameter.ini DSMC.ini | tee std.out

diff --git a/docs/documentation/userguide/workflow.md b/docs/documentation/userguide/workflow.md
@@ -84,7 +84,6 @@ Before setting up a simulation, the code must be compiled with the desired param
     * RK4: Runge-Kutta 4th order in time
     * RK14: Low storage Runge-Kutta 4, 14 stages version - Niegemann et al 2012
     * DSMC: Direct Simulation Monte Carlo, Section {ref}`sec:DSMC`
-    * RESERVOIR: Simplified DSMC module for single cell reservoir simulations
     * FP-Flow: Fokker-Planck-based collision operator, Section {ref}`sec:FP-Flow`
     * BGK-Flow: Bhatnagar-Gross-Krook collision operator, Section {ref}`sec:BGK-Flow`
 * ``PICLAS_EQNSYSNAME``: Equation system to be solved
@@ -152,7 +151,7 @@ The concept of the parameter file is described as followed:
 * The order of defined variables is irrelevant, except for the special case when redefining boundaries.
 However, it is preferable to group similar variables together.
 
-The options and underlying models are discussed in Chapter {ref}`userguide/features-and-models/index:Features & Models`, while the available 
+The options and underlying models are discussed in Chapter {ref}`userguide/features-and-models/index:Features & Models`, while the available
 output options are given in Chapter {ref}`userguide/visu_output:Visualization & Output`.
 Due to the sheer number of parameters available, it is advisable to build upon an existing parameter file from one of the tutorials
 in Chapter {ref}`userguide/tutorials/index:Tutorials`.

diff --git a/regressioncheck/CHE_BGK/RELAX_CH4/parameter.ini b/regressioncheck/CHE_BGK/RELAX_CH4/parameter.ini
@@ -73,7 +73,6 @@ Particles-DSMC-VibRelaxProb=0.05
 ! DSMC
 ! =============================================================================== !
 UseDSMC=T
-Particles-DSMCReservoirSim=T
 Particles-DSMC-CalcQualityFactors=F
 Particles-DSMC-CollisMode=2 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds =2

diff --git a/regressioncheck/CHE_DSMC/cube/parameter.ini b/regressioncheck/CHE_DSMC/cube/parameter.ini
@@ -144,9 +144,6 @@ Part-Species14-MacroParticleFactor=1E7
 ! DSMC
 ! =============================================================================== !
 UseDSMC=true
-Particles-DSMCReservoirSim=false
-!Particles-DSMCReservoirSimRate=true
-!Particles-DSMCReservoirStatistic=true
 Particles-DSMC-CollisMode=2,3 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1

diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_MultiSpec_Merge_TraceSpec/parameter.ini b/regressioncheck/CHE_DSMC/vMPF_BGG_MultiSpec_Merge_TraceSpec/parameter.ini
@@ -47,9 +47,6 @@ Part-FIBGMdeltas=(/4.64E-6,4.64E-6,4.64E-6/)
 ! =============================================================================== !
 UseDSMC                           = T
 Particles-DSMC-CollisMode         = 2
-Particles-DSMCReservoirSim        = T
-Particles-DSMCReservoirSimRate    = T
-Particles-DSMCReservoirStatistic  = T
 Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1
 Particles-RandomSeed2=2

diff --git a/regressioncheck/CHE_FPFlow/RELAX_CH4/parameter.ini b/regressioncheck/CHE_FPFlow/RELAX_CH4/parameter.ini
@@ -74,7 +74,6 @@ Particles-DSMC-VibRelaxProb=0.05
 ! DSMC
 ! =============================================================================== !
 UseDSMC=T
-Particles-DSMCReservoirSim=T
 Particles-DSMC-CalcQualityFactors=F
 Particles-DSMC-CollisMode=2 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds =2

diff --git a/regressioncheck/CHE_PIC_maxwell_RK4/IMD_coupling/parameter.ini b/regressioncheck/CHE_PIC_maxwell_RK4/IMD_coupling/parameter.ini
@@ -162,7 +162,6 @@ Part-Species5-IsIMDSpecies        = T
 ! DSMC
 ! =============================================================================== !
 UseDSMC=false
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_DSMC/Macroscopic_Restart/parameter.ini b/regressioncheck/NIG_DSMC/Macroscopic_Restart/parameter.ini
@@ -95,7 +95,6 @@ Particles-NumberForDSMCOutputs            = 1
 Part-TimeFracForSampling                  = 0.5
 Particles-DSMC-CalcSurfaceVal             = T
 Particles-DSMC-CalcQualityFactors         = F
-Particles-DSMCReservoirSim                = F
 Particles-DSMC-CollisMode                 = 2 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds                  = 2
 Particles-RandomSeed1                     = 1

diff --git a/regressioncheck/NIG_LoadBalance/sphere_soft_DSMC/parameter.ini b/regressioncheck/NIG_LoadBalance/sphere_soft_DSMC/parameter.ini
@@ -92,7 +92,6 @@ TrackingMethod = refmapping
 ! DSMC
 ! =============================================================================== !
 UseDSMC                           = true
-Particles-DSMCReservoirSim        = false
 Particles-DSMC-CollisMode         = 0 ! Collisionless flow
 Part-NumberOfRandomSeeds          = 2
 Particles-RandomSeed1             = 1

diff --git a/regressioncheck/NIG_LoadBalance/sphere_soft_RK4_with_DSMC/parameter.ini b/regressioncheck/NIG_LoadBalance/sphere_soft_RK4_with_DSMC/parameter.ini
@@ -101,7 +101,6 @@ TrackingMethod = refmapping
 ! DSMC
 ! =============================================================================== !
 UseDSMC=true
-Particles-DSMCReservoirSim=false
 Particles-DSMC-CollisMode=0 ! Collisionless flow
 Part-NumberOfRandomSeeds =2
 Particles-RandomSeed1= 1

diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/analyze.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/analyze.ini
@@ -3,5 +3,5 @@ integrate_line_file            = SurfaceAnalyze.csv ! Data file name
 integrate_line_columns         = 0:1                ! Columns x:y for integration y over x
 integrate_line_integral_value  = 1.142E8            ! Number of removed electrons through the anode BC per second (=5.71e-4/5e-12)
 !                                                   ! integrated value from one exemplary simulation
-integrate_line_tolerance_value = 4e-2               ! Tolerance
+integrate_line_tolerance_value = 5e-2               ! Tolerance
 integrate_line_tolerance_type  = relative           ! Relative or absolute tolerance
diff --git a/regressioncheck/NIG_Reservoir/VarRelaxProb_Restart/parameter.ini b/regressioncheck/NIG_Reservoir/VarRelaxProb_Restart/parameter.ini
@@ -131,4 +131,4 @@ Part-NumberOfRandomSeeds           = 2
 Particles-RandomSeed1              = 1
 Particles-RandomSeed2              = 2
 Particles-DSMC-UseOctree           = F
-Particles-DSMC-UseNearestNeighbour = T
+Particles-DSMC-UseNearestNeighbour = F
diff --git a/regressioncheck/NIG_Reservoir/VarRelaxProb_hot/parameter.ini b/regressioncheck/NIG_Reservoir/VarRelaxProb_hot/parameter.ini
@@ -92,6 +92,6 @@ Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1
 Particles-RandomSeed2=2
 Particles-DSMC-UseOctree=F
-Particles-DSMC-UseNearestNeighbour = T
+Particles-DSMC-UseNearestNeighbour = F
 
 Particles-DSMCReservoirSim         = T
diff --git a/regressioncheck/NIG_Reservoir/builds.ini b/regressioncheck/NIG_Reservoir/builds.ini
@@ -6,7 +6,7 @@ CMAKE_BUILD_TYPE=RELEASE
 LIBS_BUILD_HDF5  =OFF
 PICLAS_POLYNOMIAL_DEGREE=N
 PICLAS_EQNSYSNAME=maxwell
-PICLAS_TIMEDISCMETHOD=RESERVOIR
+PICLAS_TIMEDISCMETHOD=DSMC
 LIBS_USE_MPI  =ON
 PICLAS_NODETYPE=GAUSS
 
diff --git a/regressioncheck/NIG_code_analyze/CHEM_CONS_XSec_diss_ion_H2/parameter.ini b/regressioncheck/NIG_code_analyze/CHEM_CONS_XSec_diss_ion_H2/parameter.ini
@@ -55,10 +55,6 @@ Particles-DSMCElectronicDatabase  = Electronic-State-Database.h5
 EpsMergeElectronicState           = 1E-3
 Part-Species$-ElecRelaxProb      = 1.
 
-Particles-DSMCReservoirSim        = T
-Particles-DSMCReservoirSimRate    = F
-Particles-DSMCReservoirStatistic  = F
-
 Particles-DSMC-VibRelaxProb = 0.
 ! =============================================================================== !
 ! PARTICLES

diff --git a/regressioncheck/NIG_code_analyze/FieldIonization/parameter.ini b/regressioncheck/NIG_code_analyze/FieldIonization/parameter.ini
@@ -72,7 +72,6 @@ Particles-DSMC-CollisMode        = 0 !(0: No Collisions (0:free molecular flow w
 Particles-DSMC-ElectronicModel   = 1
 Particles-DSMCElectronicDatabase = DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK = true
 EpsMergeElectronicState          = 1.e-2 ! merge QK levels when difference falls below eps
-Particles-DSMCReservoirSim       = F
 Particles-NumberForDSMCOutputs   = 0
 Part-TimeFracForSampling         = 0.0
 Part-NumberOfRandomSeeds         = 2

diff --git a/regressioncheck/NIG_code_analyze/Semicircle/parameter.ini b/regressioncheck/NIG_code_analyze/Semicircle/parameter.ini
@@ -66,7 +66,6 @@ printDiffVec         =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-
 ! DSMC
 ! =============================================================================== !
 UseDSMC=true
-Particles-DSMCReservoirSim=false
 Particles-DSMC-CollisMode=0 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds =2
 Particles-RandomSeed1= 1

diff --git a/regressioncheck/NIG_convtest_poisson/Dielectric_sphere_in_sphere_curved_mortar/parameter.ini b/regressioncheck/NIG_convtest_poisson/Dielectric_sphere_in_sphere_curved_mortar/parameter.ini
@@ -116,7 +116,6 @@ Part-Boundary1-Condition  = open
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_convtest_poisson/Laplace_h_N1_mortar/parameter.ini b/regressioncheck/NIG_convtest_poisson/Laplace_h_N1_mortar/parameter.ini
@@ -124,7 +124,6 @@ Part-Boundary6-SourceName = BC_z+
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_dielectric/HDG_cylinder/parameter.ini b/regressioncheck/NIG_dielectric/HDG_cylinder/parameter.ini
@@ -122,7 +122,6 @@ Part-nPeriodicVectors=2
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_dielectric/HDG_slab/parameter.ini b/regressioncheck/NIG_dielectric/HDG_slab/parameter.ini
@@ -127,7 +127,6 @@ Part-nPeriodicVectors=2
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_dielectric/HDG_sphere_in_box_analytical_BC/parameter.ini b/regressioncheck/NIG_dielectric/HDG_sphere_in_box_analytical_BC/parameter.ini
@@ -123,7 +123,6 @@ Part-Boundary6-Condition  = open
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_dielectric/HDG_sphere_in_box_potential_BC/parameter.ini b/regressioncheck/NIG_dielectric/HDG_sphere_in_box_potential_BC/parameter.ini
@@ -133,7 +133,6 @@ Part-nPeriodicVectors=2
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_dielectric/HDG_sphere_in_sphere_analytical_BC/parameter.ini b/regressioncheck/NIG_dielectric/HDG_sphere_in_sphere_analytical_BC/parameter.ini
@@ -96,7 +96,6 @@ Part-Boundary1-Condition  = open
 ! =============================================================================== !
 UseDSMC=F
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/NIG_sanitize/poisson/parameter.ini b/regressioncheck/NIG_sanitize/poisson/parameter.ini
@@ -121,29 +121,9 @@ Part-PartLorentzType  = 3 ! old
 ! =============================================================================== !
 ! DSMC
 ! =============================================================================== !
-!         UseDSMC=false
-!         Particles-DSMCReservoirSim=false
-!         Particles-NumberForDSMCOutputs=0
-!         Part-TimeFracForSampling=0.0
-!         Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)
-!         Part-NumberOfRandomSeeds =2
-!         Particles-RandomSeed1= 1
-!         Particles-RandomSeed2= 2
-!         !ManualTimeStep=3.3E-13
-!         
-!         Particles-HaloEpsVelo=300E6
-!         epsCG=1e-6     ! 1.0E-6 
-!         maxIterCG=2000 !'500'
-!         ! MISC
-!         
-!         xyzPhysicalMinMax = (/-5.00E-01,5.00E-01,-5.00E-01,5.00E-01,-5.00E-01,5.00E-01,/) !
-
-
-
 UseDSMC=T   !  yolo
 Particles-DSMC-ElectronicModel= 1
 Particles-DSMCElectronicDatabase=DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK=true
-Particles-DSMCReservoirSim=false
 Particles-NumberForDSMCOutputs=0
 Part-TimeFracForSampling=0.0
 Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)

diff --git a/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini b/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini
@@ -91,7 +91,6 @@ Particles-NumberForDSMCOutputs            = 1
 Part-TimeFracForSampling                  = 0.5
 Particles-DSMC-CalcSurfaceVal             = T
 Particles-DSMC-CalcQualityFactors         = T
-Particles-DSMCReservoirSim                = F
 Particles-DSMC-CollisMode                 = 2 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds                  = 2
 Particles-RandomSeed1                     = 1

diff --git a/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_Curved/parameter.ini b/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_Curved/parameter.ini
@@ -88,7 +88,6 @@ Particles-NumberForDSMCOutputs=100
 Particles-DSMC-CalcSurfaceVal=true
 Particles-DSMC-CalcQualityFactors=true
 UseDSMC=true
-Particles-DSMCReservoirSim=false
 Particles-DSMC-CollisMode=1 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1

diff --git a/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_LinearMesh/parameter.ini b/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_LinearMesh/parameter.ini
@@ -81,7 +81,6 @@ Part-TimeFracForSampling=0.75
 Particles-DSMC-CalcSurfaceVal=T
 Particles-DSMC-CalcQualityFactors=T
 UseDSMC=true
-Particles-DSMCReservoirSim=false
 Particles-DSMC-CollisMode=1 !(1:elast coll, 2: elast + rela, 3:chem)
 Part-NumberOfRandomSeeds=2
 Particles-RandomSeed1=1