diff --git a/examples/KAPPA/in.langevin b/examples/KAPPA/in.langevin index 267b811de8..5c83248af6 100644 --- a/examples/KAPPA/in.langevin +++ b/examples/KAPPA/in.langevin @@ -82,7 +82,7 @@ fix_modify cold temp Tcold fix ave all ave/time 10 100 1000 v_tdiff ave running thermo_style custom step temp c_Thot c_Tcold f_hot f_cold v_tdiff f_ave -fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp & - file profile.langevin units reduced +compute layers all chunk/atom bin/1d z lower 0.05 units reduced +fix 2 all ave/chunk 10 100 1000 layers v_temp file profile.langevin run 20000 diff --git a/examples/KAPPA/in.mp b/examples/KAPPA/in.mp index ba19765844..10ddd266d1 100644 --- a/examples/KAPPA/in.mp +++ b/examples/KAPPA/in.mp @@ -50,8 +50,10 @@ compute ke all ke/atom variable temp atom c_ke/1.5 fix 1 all nve -fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp & - file profile.mp units reduced + +compute layers all chunk/atom bin/1d z lower 0.05 units reduced +fix 2 all ave/chunk 10 100 1000 layers v_temp file profile.mp + fix 3 all thermal/conductivity 10 z 20 variable tdiff equal f_2[11][3]-f_2[1][3] diff --git a/examples/VISCOSITY/in.mp.2d b/examples/VISCOSITY/in.mp.2d index fdf0652d62..5ef4857e53 100644 --- a/examples/VISCOSITY/in.mp.2d +++ b/examples/VISCOSITY/in.mp.2d @@ -44,8 +44,9 @@ unfix 2 velocity all scale $t fix 4 all viscosity 100 x y 20 -fix 5 all ave/spatial 20 50 1000 y center 0.05 vx & - units reduced file profile.mp.2d + +compute layers all chunk/atom bin/1d y center 0.05 units reduced +fix 5 all ave/chunk 20 50 1000 layers vx file profile.mp.2d # equilibration run diff --git a/examples/VISCOSITY/in.nemd.2d b/examples/VISCOSITY/in.nemd.2d index 0ff9c1e321..6eba2eaede 100644 --- a/examples/VISCOSITY/in.nemd.2d +++ b/examples/VISCOSITY/in.nemd.2d @@ -54,8 +54,9 @@ variable xyrate equal ${srate}/ly fix 1 all nvt/sllod temp $t $t 0.1 fix 2 all deform 1 xy erate ${xyrate} remap v -fix 4 all ave/spatial 20 250 5000 y center 0.05 vx & - units reduced file profile.nemd.2d + +compute layers all chunk/atom bin/1d y center 0.05 units reduced +fix 4 all ave/chunk 20 250 5000 layers vx file profile.nemd.2d compute usual all temp compute tilt all temp/deform diff --git a/examples/VISCOSITY/in.wall.2d b/examples/VISCOSITY/in.wall.2d index 1c3a8016dc..91b444a7da 100644 --- a/examples/VISCOSITY/in.wall.2d +++ b/examples/VISCOSITY/in.wall.2d @@ -51,8 +51,10 @@ fix 2 flow langevin $t $t 0.1 498094 fix_modify 2 temp thermal fix 3 wall setforce 0.0 0.0 0.0 -fix 4 flow ave/spatial 20 500 10000 y center 0.05 vx & - units reduced file profile.wall.2d + +compute layers all chunk/atom bin/1d y center 0.05 units reduced +fix 4 all ave/chunk 20 500 10000 layers vx file profile.wall.2d + fix 5 all enforce2d # equilibration run