diff --git a/tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict index 82d6e262..946debef 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict @@ -23,13 +23,13 @@ startTime 0; stopAt endTime; -endTime 5; +endTime 4000; deltaT 0.1; writeControl adjustableRunTime; //runTime;//// timeStep; // -writeInterval 0.5; +writeInterval 100; purgeWrite 0; diff --git a/tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run index 2ab52e36..e1af20fa 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run @@ -64,7 +64,7 @@ fix Ea all property/global Ea_cfd5 vector 69488 73674 113859 # particle porosities adn tortuosity fix porosity all property/global porosity_ scalar 0.15 fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 0.00001 #3.91e-9 +fix pore_diameter all property/global pore_diameter_ scalar 3.91e-5 #0.00001 #3.91e-9 # Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) fix density all property/global density_all vector 7870 5740 5170 5240 @@ -78,38 +78,38 @@ fix integr all nve/sphere ############################################### ## DEBUG ## -#compute masschange all property/atom mass -#compute massreduce all reduce sum c_masschange -#fix rmass all ave/time 100 1 100 c_massreduce file rmass.dat +compute masschange all property/atom mass +compute massreduce all reduce sum c_masschange +fix rmass all ave/time 100 1 100 c_massreduce file rmass.dat -#compute layerRad1 all reduce sum f_layerRelRad[1] -#fix redRad1 all ave/time 100 1 100 c_layerRad1 file relRad1.dat +compute layerRad1 all reduce sum f_layerRelRad[1] +fix redRad1 all ave/time 100 1 100 c_layerRad1 file relRad1.dat -#compute layerRad2 all reduce sum f_layerRelRad[2] -#fix redRad2 all ave/time 100 1 100 c_layerRad2 file relRad2.dat +compute layerRad2 all reduce sum f_layerRelRad[2] +fix redRad2 all ave/time 100 1 100 c_layerRad2 file relRad2.dat -#compute layerRad3 all reduce sum f_layerRelRad[3] -#fix redRad3 all ave/time 100 1 100 c_layerRad3 file relRad3.dat +compute layerRad3 all reduce sum f_layerRelRad[3] +fix redRad3 all ave/time 100 1 100 c_layerRad3 file relRad3.dat -#compute layerRad4 all reduce sum f_layerRelRad[4] -#fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat +compute layerRad4 all reduce sum f_layerRelRad[4] +fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat -#variable rad_fe atom "f_layerRelRad[1]*radius" -#compute r_fe all reduce sum v_rad_fe -#fix r_fe1 all ave/time 100 1 100 c_r_fe file rfe.dat +variable rad_fe atom "f_layerRelRad[1]*radius" +compute r_fe all reduce sum v_rad_fe +fix r_fe1 all ave/time 100 1 100 c_r_fe file rfe.dat -#variable rad_w atom "f_layerRelRad[2]*radius" -#compute r_w all reduce sum v_rad_w -#fix r_w1 all ave/time 100 1 100 c_r_w file rw.dat +variable rad_w atom "f_layerRelRad[2]*radius" +compute r_w all reduce sum v_rad_w +fix r_w1 all ave/time 100 1 100 c_r_w file rw.dat -#variable rad_m atom "f_layerRelRad[3]*radius" -#compute r_m all reduce sum v_rad_m -#fix r_m1 all ave/time 100 1 100 c_r_m file rm.dat +variable rad_m atom "f_layerRelRad[3]*radius" +compute r_m all reduce sum v_rad_m +fix r_m1 all ave/time 100 1 100 c_r_m file rm.dat -#variable rad_h atom "f_layerRelRad[4]*radius" -#compute r_h all reduce sum v_rad_h -#fix r_h1 all ave/time 100 1 100 c_r_h file rh.dat +variable rad_h atom "f_layerRelRad[4]*radius" +compute r_h all reduce sum v_rad_h +fix r_h1 all ave/time 100 1 100 c_r_h file rh.dat ############################################### # screen output