diff --git a/src/USER-REAXC/pair_reax_c.cpp b/src/USER-REAXC/pair_reax_c.cpp index 5f49d3b02bc2c812f0033302d87113b3b5d2a5dc..c79c58fe986e2825cdb25c28b1f0f86cd42f2966 100644 --- a/src/USER-REAXC/pair_reax_c.cpp +++ b/src/USER-REAXC/pair_reax_c.cpp @@ -449,15 +449,6 @@ void PairReaxC::setup( ) ReAllocate( system, control, data, workspace, &lists, mpi_data ); } - - ngroup = 0; - int ngroup_sum = 0; - for (int i = 0; i < list->inum; i++) { - ngroup ++; - } - MPI_Allreduce( &ngroup, &ngroup_sum, 1, MPI_INT, MPI_SUM, world ); - ngroup = ngroup_sum; - } /* ---------------------------------------------------------------------- */ diff --git a/src/USER-REAXC/pair_reax_c.h b/src/USER-REAXC/pair_reax_c.h index 3ddeb781a67f79dbeb11735ada0707da168b6f11..1f7a5c9f00a8ece971cf8564e3ba6c1e222fefa8 100644 --- a/src/USER-REAXC/pair_reax_c.h +++ b/src/USER-REAXC/pair_reax_c.h @@ -57,8 +57,6 @@ class PairReaxC : public Pair { reax_list *lists; mpi_datatypes *mpi_data; - bigint ngroup; - private: double cutmax; int nelements; // # of unique elements