diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp index 16d4b63928..64651be270 100644 --- a/src/KOKKOS/pair_reaxc_kokkos.cpp +++ b/src/KOKKOS/pair_reaxc_kokkos.cpp @@ -143,7 +143,7 @@ template void PairReaxCKokkos::init_style() { PairReaxC::init_style(); - if (fix_reax) modify->delete_fix(fix_id.c_str()); // not needed in the Kokkos version + if (fix_reax) modify->delete_fix(fix_id); // not needed in the Kokkos version fix_reax = NULL; // irequest = neigh request made by parent class diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index 28a4b6a30f..eb3e6c92a0 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -33,8 +33,6 @@ High Performance Computing Applications, to appear. ------------------------------------------------------------------------- */ -#include - #include "pair_reaxc_omp.h" #include "atom.h" #include "update.h" @@ -99,9 +97,7 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR) num_nbrs_offset = NULL; - std::stringstream ss; - ss << "REAXC_COMP_" << std::dec << Pair::instance_me; - fix_id = ss.str(); + sprintf(fix_id, "REAXC_OMP_%d", Pair::instance_me); #ifdef OMP_TIMING for (int i=0;iadd_fix(3,fixarg); diff --git a/src/USER-OMP/pair_reaxc_omp.h b/src/USER-OMP/pair_reaxc_omp.h index a0dc20e985..b831f61f0b 100644 --- a/src/USER-OMP/pair_reaxc_omp.h +++ b/src/USER-OMP/pair_reaxc_omp.h @@ -76,7 +76,7 @@ class PairReaxCOMP : public PairReaxC, public ThrOMP { } protected: - std::string fix_id; + char fix_id[128]; virtual void setup(); virtual void write_reax_atoms(); virtual int estimate_reax_lists(); diff --git a/src/USER-REAXC/pair_reaxc.cpp b/src/USER-REAXC/pair_reaxc.cpp index 1b949d6983..f943715420 100644 --- a/src/USER-REAXC/pair_reaxc.cpp +++ b/src/USER-REAXC/pair_reaxc.cpp @@ -20,8 +20,6 @@ Hybrid and hybrid/overlay compatibility added by Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include - #include "pair_reaxc.h" #include "atom.h" #include "update.h" @@ -76,9 +74,7 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp) manybody_flag = 1; ghostneigh = 1; - std::stringstream ss; - ss << "REAXC_" << std::dec << Pair::instance_me; - fix_id = ss.str(); + sprintf(fix_id, "REAXC_%d", Pair::instance_me); system = (reax_system *) memory->smalloc(sizeof(reax_system),"reax:system"); @@ -141,7 +137,7 @@ PairReaxC::~PairReaxC() { if (copymode) return; - if (fix_reax) modify->delete_fix(fix_id.c_str()); + if (fix_reax) modify->delete_fix(fix_id); if (setup_flag) { Close_Output_Files( system, control, out_control, mpi_data ); @@ -418,7 +414,7 @@ void PairReaxC::init_style( ) if (fix_reax == NULL) { char **fixarg = new char*[3]; - fixarg[0] = (char *) fix_id.c_str(); + fixarg[0] = (char *) fix_id; fixarg[1] = (char *) "all"; fixarg[2] = (char *) "REAXC"; modify->add_fix(3,fixarg); diff --git a/src/USER-REAXC/pair_reaxc.h b/src/USER-REAXC/pair_reaxc.h index 75cf7eb429..5f60abdb67 100644 --- a/src/USER-REAXC/pair_reaxc.h +++ b/src/USER-REAXC/pair_reaxc.h @@ -60,7 +60,7 @@ class PairReaxC : public Pair { bigint ngroup; protected: - std::string fix_id; + char fix_id[128]; double cutmax; int nelements; // # of unique elements char **elements; // names of unique elements