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

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Axel Kohlmeyer 2019-05-11 16:46:21 -04:00
parent b2942cbafa
commit c581e9349a
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4 changed files with 5 additions and 5 deletions

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@ -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

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@ -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:]

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@ -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:]

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@ -19,8 +19,8 @@ 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 1 2 lebedeva/z CC.Lebedeva C C :pre
pair_coeff * * rebo CH.rebo C C
pair_coeff 1 2 lebedeva/z CC.Lebedeva C C :pre
[Description:]