Unverified Commit c581e934 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update interlayer potential examples for now requiring CH.rebo potential file with rebo pair style

parent b2942cba
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+1 −1
Original line number Diff line number Diff line
@@ -21,7 +21,7 @@ pair_style hybrid/overlay ilp/graphene/hbn 16.0 1
pair_coeff * * ilp/graphene/hbn  BNCH.ILP B N C :pre

pair_style  hybrid/overlay rebo tersoff ilp/graphene/hbn 16.0 coul/shield 16.0
pair_coeff  * * rebo                 CH.airebo   NULL NULL C
pair_coeff  * * rebo                 CH.rebo     NULL NULL C
pair_coeff  * * tersoff              BNC.tersoff B    N    NULL
pair_coeff  * * ilp/graphene/hbn     BNCH.ILP    B    N    C
pair_coeff  1 1 coul/shield 0.70
+1 −1
Original line number Diff line number Diff line
@@ -22,7 +22,7 @@ pair_coeff * * none
pair_coeff * * kolmogorov/crespi/full  CH.KC   C C :pre

pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0 1
pair_coeff * * rebo                    CH.airebo    C H
pair_coeff * * rebo                    CH.rebo      C H
pair_coeff * * kolmogorov/crespi/full  CH_taper.KC  C H :pre

[Description:]
+1 −1
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ pair_coeff * * none
pair_coeff 1 2 kolmogorov/crespi/z  CC.KC   C C :pre

pair_style hybrid/overlay rebo kolmogorov/crespi/z 14.0
pair_coeff * * rebo                 CH.airebo  C C
pair_coeff * * rebo                 CH.rebo    C C
pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C :pre

[Description:]
+2 −2
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ pair_coeff * * none
pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre

pair_style hybrid/overlay rebo lebedeva/z 14.0
pair_coeff * * rebo                 CH.airebo  C C
pair_coeff * * rebo        CH.rebo       C C
pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre

[Description:]