Commit d9186c8f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Revert "use neighbor list exclusions instead of a zero cutoff"

This reverts commit bbb4d63d.
parent bc5186bc
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+69 −70
Original line number Diff line number Diff line
@@ -26,12 +26,10 @@ 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 0.1

pair_coeff	4 4 0.0 1.0 0.0

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
@@ -61,8 +59,10 @@ 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      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
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

delete_atoms	overlap 1.0 small big

@@ -82,8 +82,7 @@ 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 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4
pair_coeff	4 4 0.0 1.0 0.0

# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
+71 −72
Original line number Diff line number Diff line
@@ -26,12 +26,10 @@ 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 0.1

pair_coeff	4 4 0.0 1.0 0.0

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
@@ -61,8 +59,10 @@ 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      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
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

delete_atoms	overlap 1.0 small big

@@ -82,8 +82,7 @@ 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 0.1
neigh_modify    exclude type 1 4 exclude type 2 4 exclude type 3 4 exclude type 4 4
pair_coeff	4 4 0.0 1.0 0.0

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