ICODE-ADC/lammps
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more simplifications

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This commit is contained in:
mkanski
2019-04-04 09:54:39 +02:00
parent d4a495151e
commit 6ff1fee6d6
1 changed files with 3 additions and 3 deletions
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6
src/USER-REAXC/pair_reaxc.cpp
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@ -109,8 +109,8 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
system->bndry_cuts.ghost_cutoff = 0; system->bndry_cuts.ghost_cutoff = 0;
system->my_atoms = NULL; system->my_atoms = NULL;
system->pair_ptr = this; system->pair_ptr = this;
system->error_ptr = this->lmp->error; system->error_ptr = error;
control->error_ptr = this->lmp->error; control->error_ptr = error;
system->omp_active = 0; system->omp_active = 0;
@ -447,7 +447,7 @@ void PairReaxC::setup( )
if(!Make_List(system->total_cap, num_nbrs, TYP_FAR_NEIGHBOR, if(!Make_List(system->total_cap, num_nbrs, TYP_FAR_NEIGHBOR,
lists+FAR_NBRS)) lists+FAR_NBRS))
error->one(FLERR,"Pair reax/c problem in far neighbor list"); error->one(FLERR,"Pair reax/c problem in far neighbor list");
(lists+FAR_NBRS)->error_ptr=lmp->error; (lists+FAR_NBRS)->error_ptr=error;
write_reax_lists(); write_reax_lists();
Initialize( system, control, data, workspace, &lists, out_control, Initialize( system, control, data, workspace, &lists, out_control,