tx258/lammps-gran-kokkos
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error out on special atom styles

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This commit is contained in:
Axel Kohlmeyer
2021-04-09 00:47:22 -04:00
parent de158c40ad
commit 4c23ecfd4f
1 changed files with 4 additions and 0 deletions
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4
src/pair_hybrid_scaled.cpp
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@ -14,6 +14,7 @@
#include "pair_hybrid_scaled.h" #include "pair_hybrid_scaled.h"
#include "atom.h" #include "atom.h"
#include "atom_vec.h"
#include "comm.h" #include "comm.h"
#include "error.h" #include "error.h"
#include "force.h" #include "force.h"
@ -243,6 +244,9 @@ void PairHybridScaled::settings(int narg, char **arg)
error->all(FLERR,fmt::format("Must use pair_style {}/kk with Kokkos", error->all(FLERR,fmt::format("Must use pair_style {}/kk with Kokkos",
force->pair_style)); force->pair_style));
if (atom->avec->forceclearflag)
error->all(FLERR,"Atom style is not compatible with pair_style hybrid/scaled");
// delete old lists, since cannot just change settings // delete old lists, since cannot just change settings
if (nstyles > 0) { if (nstyles > 0) {