Unverified Commit 1d5ada13 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *'

parent 4a4dcef7

src/USER-MISC/pair_ilp_graphene_hbn.cpp

+1 −0
Original line number Diff line number Diff line
@@ -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;

src/USER-MISC/pair_kolmogorov_crespi_full.cpp

+1 −0
Original line number Diff line number Diff line
@@ -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;

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