From d9fc4a152b9d0189695ab0c3d8ec1bfec41c9049 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 26 Apr 2019 14:25:57 -0400 Subject: [PATCH] simplify handling of fix id for fix reaxc. remove shadowed variable. --- src/USER-OMP/pair_reaxc_omp.cpp | 2 -- src/USER-OMP/pair_reaxc_omp.h | 1 - src/USER-REAXC/pair_reaxc.cpp | 4 +++- src/USER-REAXC/pair_reaxc.h | 2 +- 4 files changed, 4 insertions(+), 5 deletions(-) diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index eb3e6c92a0..2f17515130 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -97,8 +97,6 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR) num_nbrs_offset = NULL; - sprintf(fix_id, "REAXC_OMP_%d", Pair::instance_me); - #ifdef OMP_TIMING for (int i=0;ismalloc(sizeof(reax_system),"reax:system"); @@ -138,6 +139,7 @@ PairReaxC::~PairReaxC() if (copymode) return; if (fix_reax) modify->delete_fix(fix_id); + delete[] fix_id; if (setup_flag) { Close_Output_Files( system, control, out_control, mpi_data ); diff --git a/src/USER-REAXC/pair_reaxc.h b/src/USER-REAXC/pair_reaxc.h index 5f60abdb67..a833ddbcf0 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: - char fix_id[128]; + char *fix_id; double cutmax; int nelements; // # of unique elements char **elements; // names of unique elements