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simplify handling of fix id for fix reaxc. remove shadowed variable.

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This commit is contained in:
Axel Kohlmeyer
2019-04-26 14:25:57 -04:00
parent 0e7d647aeb
commit d9fc4a152b
4 changed files with 4 additions and 5 deletions
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2
src/USER-OMP/pair_reaxc_omp.cpp
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@ -97,8 +97,6 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR)
num_nbrs_offset = NULL; num_nbrs_offset = NULL;
sprintf(fix_id, "REAXC_OMP_%d", Pair::instance_me);
#ifdef OMP_TIMING #ifdef OMP_TIMING
for (int i=0;i<LASTTIMINGINDEX;i++) { for (int i=0;i<LASTTIMINGINDEX;i++) {
ompTimingData[i] = 0; ompTimingData[i] = 0;

1
src/USER-OMP/pair_reaxc_omp.h
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@ -76,7 +76,6 @@ class PairReaxCOMP : public PairReaxC, public ThrOMP {
} }
protected: protected:
char fix_id[128];
virtual void setup(); virtual void setup();
virtual void write_reax_atoms(); virtual void write_reax_atoms();
virtual int estimate_reax_lists(); virtual int estimate_reax_lists();

4
src/USER-REAXC/pair_reaxc.cpp
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@ -74,7 +74,8 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
manybody_flag = 1; manybody_flag = 1;
ghostneigh = 1; ghostneigh = 1;
sprintf(fix_id, "REAXC_%d", Pair::instance_me); fix_id = new char[24];
snprintf(fix_id,24,"REAXC_%d",instance_me);
system = (reax_system *) system = (reax_system *)
memory->smalloc(sizeof(reax_system),"reax:system"); memory->smalloc(sizeof(reax_system),"reax:system");
@ -138,6 +139,7 @@ PairReaxC::~PairReaxC()
if (copymode) return; if (copymode) return;
if (fix_reax) modify->delete_fix(fix_id); if (fix_reax) modify->delete_fix(fix_id);
delete[] fix_id;
if (setup_flag) { if (setup_flag) {
Close_Output_Files( system, control, out_control, mpi_data ); Close_Output_Files( system, control, out_control, mpi_data );

2
src/USER-REAXC/pair_reaxc.h
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@ -60,7 +60,7 @@ class PairReaxC : public Pair {
bigint ngroup; bigint ngroup;
protected: protected:
char fix_id[128]; char *fix_id;
double cutmax; double cutmax;
int nelements; // # of unique elements int nelements; // # of unique elements
char **elements; // names of unique elements char **elements; // names of unique elements