From d9e3e2a773a058e52ba66ca1470433a4d367f0a5 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 6 Sep 2017 17:54:55 +0200 Subject: [PATCH] Update tutorial script - No need for rdef (is deleted) - Molarmasses must be in kg - Consider every keyword required for sim to run --- .../Shrinking_particle_model/DEM/in.liggghts_run | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run index 90b0e00e..e40ad321 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run @@ -51,8 +51,7 @@ fix cfd2 all couple/cfd/force fix cfd3 all couple/cfd/chemistry n_species 3 species_names O2 CO2 N2 # this should shrink the particle -#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2 -fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-1 rmin 0.005 nevery 1 +fix cfd4 all chem/shrink speciesA O2 molMassA 0.03199 nuA 1 speciesC CO2 molMassC 0.04401 nuC 1 molMassB 0.01201 nuB 1 k 2.5e-1 rmin 0.005 nevery 1 screen no # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere