Commit bbb4d63d authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

use neighbor list exclusions instead of a zero cutoff

parent 1c92eece
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+70 −69
Original line number Diff line number Diff line
@@ -26,10 +26,12 @@ pair_style lj/cut 1.12
pair_coeff      1 1 1.0 1.0 1.12
pair_coeff      2 2 1.0 2.0 2.24
pair_coeff      3 3 1.0 1.5 1.68
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1


neighbor        0.3 bin
neigh_modify    delay 0 every 1 check yes
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

fix             1 big nve
fix             2 all enforce2d
@@ -59,10 +61,8 @@ pair_style lj/cut 2.5
pair_coeff      1 1 1.0 1.0
pair_coeff      2 2 1.0 2.0
pair_coeff      3 3 1.0 1.5
pair_coeff	1 4 0.0 1.0 0.5
pair_coeff	2 4 0.0 1.0 1.0
pair_coeff	3 4 0.0 1.0 0.75
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

delete_atoms    overlap 1.0 small big

@@ -82,7 +82,8 @@ pair_style lj/cut 1.12
pair_coeff      1 1 1.0 1.0 1.12
pair_coeff      2 2 1.0 2.0 2.24
pair_coeff      3 3 1.0 1.5 1.68
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
+72 −71
Original line number Diff line number Diff line
@@ -26,10 +26,12 @@ pair_style lj/cut 1.12
pair_coeff      1 1 1.0 1.0 1.12
pair_coeff      2 2 1.0 2.0 2.24
pair_coeff      3 3 1.0 1.5 1.68
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1


neighbor        0.3 bin
neigh_modify    delay 0 every 1 check yes
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

fix             1 big nve
fix             2 all enforce2d
@@ -59,10 +61,8 @@ pair_style lj/cut 2.5
pair_coeff      1 1 1.0 1.0
pair_coeff      2 2 1.0 2.0
pair_coeff      3 3 1.0 1.5
pair_coeff	1 4 0.0 1.0 0.5
pair_coeff	2 4 0.0 1.0 1.0
pair_coeff	3 4 0.0 1.0 0.75
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

delete_atoms    overlap 1.0 small big

@@ -82,7 +82,8 @@ pair_style lj/cut 1.12
pair_coeff      1 1 1.0 1.0 1.12
pair_coeff      2 2 1.0 2.0 2.24
pair_coeff      3 3 1.0 1.5 1.68
pair_coeff	4 4 0.0 1.0 0.0
pair_coeff      4 4 0.0 1.0 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4

# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles