48 lines
1.5 KiB
Plaintext
48 lines
1.5 KiB
Plaintext
/run/numberOfThreads 2
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# use Step-by-Step (SBS), independent reaction time (IRT)
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# or synchronized IRT (IRT_syn),
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# SBS ( is only for TDC, set 0 )
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#/process/chem/TimeStepModel IRT
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/process/chem/TimeStepModel SBS
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#/process/chem/TimeStepModel IRT_syn
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/run/initialize
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/chem/PrintSpeciesTable
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# set all reaction rates to zero (only diffusion)
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/chem/reaction/UI
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# totally diffusion-controlled (TDC) | Fix | reactionRate[dm3/(mol*s)] | TDC (0)
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/chem/reaction/add H + H -> H2 | Fix | 0 | 0
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/chem/reaction/add e_aq + H -> H2 + OHm | Fix | 0 | 0
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/chem/reaction/add e_aq + e_aq -> H2 + OHm + OHm | Fix | 0 | 0
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/chem/reaction/add H3Op + OHm -> H2O | Fix | 0 | 0
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# partially diffusion-controlled (PDC) | Fix | reactionRate[dm3/(mol*s)] | PDC (1)
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/chem/reaction/add OH + H -> H2O | Fix | 0 | 1
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/chem/reaction/add OH + OH -> H2O2 | Fix | 0 | 1
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/chem/reaction/add e_aq + OH -> OHm | Fix | 0 | 1
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/chem/reaction/add e_aq + H2O2 -> OHm + OH | Fix | 0 | 1
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/chem/reaction/add e_aq + H3Op -> H + H2O | Fix | 0 | 1
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/chem/reaction/print
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/gun/position 0 0 0
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/gun/particle e-
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/tracking/verbose 0
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/scheduler/verbose 0
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/scheduler/endTime 0.001 microsecond
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/scorer/BasicMoleculeCounts/nOfTimeBins 10
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/scorer/BasicCounter_VariablePrecision/nOfTimeBins 10
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/scorer/basicreactioncounts/nOfTimeBins 10
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/run/verbose 1
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/run/printProgress 1
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/gun/energy 1 keV
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/run/beamOn 2 |