ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update/add error message for using hybrid pair styles with KOKKOS

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-07-02 16:40:47 -04:00
parent 3a014a5430
commit f598ae7ebf
2 changed files with 4 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/pair_hybrid.cpp
View File

@ -434,7 +434,7 @@ void PairHybrid::coeff(int narg, char **arg)
if (!allocated) allocate();
if (lmp->kokkos)
error->all(FLERR,"Cannot yet use pair hybrid with Kokkos");
error->all(FLERR,"Must use pair_style hybrid/kk with Kokkos");
int ilo,ihi,jlo,jhi;
force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

3
src/pair_hybrid_overlay.cpp
View File

@ -33,6 +33,9 @@ void PairHybridOverlay::coeff(int narg, char **arg)
if (narg < 3) error->all(FLERR,"Incorrect args for pair coefficients");
if (!allocated) allocate();
if (lmp->kokkos)
error->all(FLERR,"Must use pair_style hybrid/overlay/kk with Kokkos");
int ilo,ihi,jlo,jhi;
force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);