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write DEM data to DEM/post folder

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This commit is contained in:
danielque
2019-09-26 13:01:04 +02:00
parent 29afb0e920
commit 5bf3402415
5 changed files with 53 additions and 53 deletions
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22
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run
View File

@ -114,14 +114,14 @@ variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
variable fr_1_divided equal f_fr_d1[1]/${np}
variable fr_2_divided equal f_fr_d1[2]/${np}
variable fr_3_divided equal f_fr_d1[3]/${np}
variable frOV_divided equal 1/9*v_fr_3_divided+2/9*v_fr_2_divided+6/9*v_fr_1_divided
fix printfrdividied all print ${WI} "${time} ${fr_1_divided} ${fr_2_divided} ${fr_3_divided} ${frOV_divided}" file frDivided.dat title "#time fr_1 fr_2 fr_3 frOV"
fix printfrdividied all print ${WI} "${time} ${fr_1_divided} ${fr_2_divided} ${fr_3_divided} ${frOV_divided}" file ../DEM/post/frDivided.dat title "#time fr_1 fr_2 fr_3 frOV"
### Reactant gas mass change ###
compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3]
@ -137,7 +137,7 @@ variable dmA_H2_2 equal f_dmA_f_H2[2]
variable dmA_H2_3 equal f_dmA_f_H2[3]
### Write Mass change files to file ###
fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3"
fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file ../DEM/post/dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3"
###############
@ -173,11 +173,11 @@ compute Massterm_red_H2 all reduce sum f_Massterm_cfd6
fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2
variable mt_H2 equal f_Massterm2
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3"
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3"
fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file Mterm.dat title "#time mt_CO mt_H2"
fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file ../DEM/post/Mterm.dat title "#time mt_CO mt_H2"
###############
compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4]
@ -215,11 +215,11 @@ compute xC_H2O all reduce sum f_X_H2O
fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O
variable xC_H2O_1 equal f_molarFractionC_H2O
fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h"
fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file ../DEM/post/MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h"
fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3"
fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file ../DEM/post/dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3"
fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O"
fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file ../DEM/post/molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O"
###############
@ -247,7 +247,7 @@ variable dik_H2_1 equal f_effDiffKnud2[1]
variable dik_H2_2 equal f_effDiffKnud2[2]
variable dik_H2_3 equal f_effDiffKnud2[3]
fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3"
fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file ../DEM/post/DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3"
###############
@ -268,7 +268,7 @@ compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output

22
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run
View File

@ -93,14 +93,14 @@ variable m1 equal mass[1]
variable rp equal radius[1]
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1])
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par"
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file ../DEM/post/mass_rho_rad.txt title "#time mass rho rad_par"
# compute kinetic energy of particles to see if they are moving changing
compute KinEn all ke
variable ke_tot equal c_KinEn
# print total kinetic energy
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
fix printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
@ -114,7 +114,7 @@ variable k01 equal f_k0[1]
variable k02 equal f_k0[2]
variable k03 equal f_k0[3]
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
###############
# Print out values affecting chemical reduction into specified folder for given time
@ -124,7 +124,7 @@ compute COdiff all reduce sum f_CO_diffCoeff
fix diffField_CO all ave/time 1 1 1 c_COdiff
variable CO_diffCo equal f_diffField_CO
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file ../DEM/post/DiffCoeff.dat title "#time CO_diffCoeff"
###############
# Specific Resistance terms depending on reacting gases
@ -145,11 +145,11 @@ compute MCOd1 all reduce sum f_Massterm_cfd5
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
variable mt_CO equal f_MTCOd1
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file ../DEM/post/MassTerm.dat title "#time mt_CO"
# Print out fractional reduction for specific diameter ranges as well as total fractional reduction
@ -161,7 +161,7 @@ variable dmdot_1 equal f_dmA_val[1]
variable dmdot_2 equal f_dmA_val[2]
variable dmdot_3 equal f_dmA_val[3]
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file ../DEM/post/dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3]
fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3]
@ -169,7 +169,7 @@ variable dmdot_H2_1 equal f_dmA_valH2[1]
variable dmdot_H2_2 equal f_dmA_valH2[2]
variable dmdot_H2_3 equal f_dmA_valH2[3]
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file ../DEM/post/dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
@ -180,7 +180,7 @@ variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
###############################################
## Check Layer Radii and Write them to files ###
@ -200,7 +200,7 @@ compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output

22
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run
View File

@ -93,14 +93,14 @@ variable m1 equal mass[1]
variable rp equal radius[1]
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1])
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par"
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file ../DEM/post/mass_rho_rad.txt title "#time mass rho rad_par"
# compute kinetic energy of particles to see if they are moving changing
compute KinEn all ke
variable ke_tot equal c_KinEn
# print total kinetic energy
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
fix printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
@ -114,7 +114,7 @@ variable k01 equal f_k0[1]
variable k02 equal f_k0[2]
variable k03 equal f_k0[3]
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
###############
# Print out values affecting chemical reduction into specified folder for given time
@ -124,7 +124,7 @@ compute COdiff all reduce sum f_CO_diffCoeff
fix diffField_CO all ave/time 1 1 1 c_COdiff
variable CO_diffCo equal f_diffField_CO
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file ../DEM/post/DiffCoeff.dat title "#time CO_diffCoeff"
###############
# Specific Resistance terms depending on reacting gases
@ -145,11 +145,11 @@ compute MCOd1 all reduce sum f_Massterm_cfd5
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
variable mt_CO equal f_MTCOd1
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file ../DEM/post/MassTerm.dat title "#time mt_CO"
# Print out fractional reduction for specific diameter ranges as well as total fractional reduction
@ -161,7 +161,7 @@ variable dmdot_1 equal f_dmA_val[1]
variable dmdot_2 equal f_dmA_val[2]
variable dmdot_3 equal f_dmA_val[3]
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file ../DEM/post/dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3]
fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3]
@ -169,7 +169,7 @@ variable dmdot_H2_1 equal f_dmA_valH2[1]
variable dmdot_H2_2 equal f_dmA_valH2[2]
variable dmdot_H2_3 equal f_dmA_valH2[3]
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file ../DEM/post/dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
@ -180,7 +180,7 @@ variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
###############################################
## Check Layer Radii and Write them to files ###
@ -200,7 +200,7 @@ compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output

20
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run
View File

@ -89,14 +89,14 @@ variable m1 equal mass[1]
variable rp equal radius[1]
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1])
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par"
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file ../DEM/post/mass_rho_rad.txt title "#time mass rho rad_par"
# compute kinetic energy of particles to see if they are moving changing
compute KinEn all ke
variable ke_tot equal c_KinEn
# print total kinetic energy
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
fix printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
@ -110,7 +110,7 @@ variable k01 equal f_k0[1]
variable k02 equal f_k0[2]
variable k03 equal f_k0[3]
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
###############
# Print out values affecting chemical reduction into specified folder for given time
@ -120,7 +120,7 @@ compute COdiff all reduce sum f_CO_diffCoeff
fix diffField_CO all ave/time 1 1 1 c_COdiff
variable CO_diffCo equal f_diffField_CO
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file ../DEM/post/DiffCoeff.dat title "#time CO_diffCoeff"
###############
# Specific Resistance terms depending on reacting gases
@ -141,11 +141,11 @@ compute MCOd1 all reduce sum f_Massterm_cfd5
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
variable mt_CO equal f_MTCOd1
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file ../DEM/post/MassTerm.dat title "#time mt_CO"
# Print out fractional reduction for specific diameter ranges as well as total fractional reduction
@ -157,7 +157,7 @@ variable dmdot_1 equal f_dmA_val[1]
variable dmdot_2 equal f_dmA_val[2]
variable dmdot_3 equal f_dmA_val[3]
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file ../DEM/post/dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
@ -168,7 +168,7 @@ variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
###############################################
## Check Layer Radii and Write them to files ###
@ -188,7 +188,7 @@ compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output

20
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run
View File

@ -89,14 +89,14 @@ variable m1 equal mass[1]
variable rp equal radius[1]
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1])
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par"
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file ../DEM/post/mass_rho_rad.txt title "#time mass rho rad_par"
# compute kinetic energy of particles to see if they are moving changing
compute KinEn all ke
variable ke_tot equal c_KinEn
# print total kinetic energy
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
fix printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
@ -110,7 +110,7 @@ variable k01 equal f_k0[1]
variable k02 equal f_k0[2]
variable k03 equal f_k0[3]
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
###############
# Print out values affecting chemical reduction into specified folder for given time
@ -120,7 +120,7 @@ compute COdiff all reduce sum f_CO_diffCoeff
fix diffField_CO all ave/time 1 1 1 c_COdiff
variable CO_diffCo equal f_diffField_CO
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file ../DEM/post/DiffCoeff.dat title "#time CO_diffCoeff"
###############
# Specific Resistance terms depending on reacting gases
@ -141,11 +141,11 @@ compute MCOd1 all reduce sum f_Massterm_cfd5
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
variable mt_CO equal f_MTCOd1
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file ../DEM/post/MassTerm.dat title "#time mt_CO"
# Print out fractional reduction for specific diameter ranges as well as total fractional reduction
@ -157,7 +157,7 @@ variable dmdot_1 equal f_dmA_val[1]
variable dmdot_2 equal f_dmA_val[2]
variable dmdot_3 equal f_dmA_val[3]
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file ../DEM/post/dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
@ -168,7 +168,7 @@ variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
###############################################
## Check Layer Radii and Write them to files ###
@ -188,7 +188,7 @@ compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output