From 92615bda3aa3e02f525648fb155684a433cc8a8e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 17 Jun 2019 07:38:11 -0400 Subject: [PATCH] update kolmogorov/crespi/full example input for recent change in REBO --- examples/USER/misc/kolmogorov_crespi_full/CH.rebo | 1 + examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) create mode 120000 examples/USER/misc/kolmogorov_crespi_full/CH.rebo diff --git a/examples/USER/misc/kolmogorov_crespi_full/CH.rebo b/examples/USER/misc/kolmogorov_crespi_full/CH.rebo new file mode 120000 index 0000000000..c5a6a40100 --- /dev/null +++ b/examples/USER/misc/kolmogorov_crespi_full/CH.rebo @@ -0,0 +1 @@ +../../../../potentials/CH.rebo \ No newline at end of file diff --git a/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene b/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene index 63ac92cb05..c3e59337de 100644 --- a/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene +++ b/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene @@ -18,7 +18,7 @@ group adsorbate type 2 ######################## Potential defition ######################## pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0 #################################################################### -pair_coeff * * rebo CH.airebo NULL C # chemical +pair_coeff * * rebo CH.rebo NULL C # chemical pair_coeff * * kolmogorov/crespi/full CC.KC-full C C # long range #################################################################### # Neighbor update settings