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

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Axel Kohlmeyer 2019-05-13 21:51:45 -04:00
parent 4a4dcef7b7
commit 1d5ada136a
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2 changed files with 2 additions and 0 deletions

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@ -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;

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@ -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;