From 1d5ada136a8021c34f2aad7223f394a1b49b2ac1 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 13 May 2019 21:51:45 -0400 Subject: [PATCH] should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *' --- src/USER-MISC/pair_ilp_graphene_hbn.cpp | 1 + src/USER-MISC/pair_kolmogorov_crespi_full.cpp | 1 + 2 files changed, 2 insertions(+) diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp index 0f0b8fa78f..a41c660b7b 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp +++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp @@ -47,6 +47,7 @@ using namespace LAMMPS_NS; PairILPGrapheneHBN::PairILPGrapheneHBN(LAMMPS *lmp) : Pair(lmp) { restartinfo = 0; + one_coeff = 1; // initialize element to parameter maps nelements = 0; diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp index ee7071b1c7..e73278968d 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp @@ -47,6 +47,7 @@ using namespace LAMMPS_NS; PairKolmogorovCrespiFull::PairKolmogorovCrespiFull(LAMMPS *lmp) : Pair(lmp) { restartinfo = 0; + one_coeff = 1; // initialize element to parameter maps nelements = 0;