Unverified Commit d9fc4a15 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent 0e7d647a

src/USER-OMP/pair_reaxc_omp.cpp

+0 −2
Original line number Diff line number Diff line
@@ -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;i<LASTTIMINGINDEX;i++) {

    ompTimingData[i] = 0;

src/USER-OMP/pair_reaxc_omp.h

+0 −1
Original line number Diff line number Diff line
@@ -76,7 +76,6 @@ class PairReaxCOMP : public PairReaxC, public ThrOMP { 
  }



 protected:

  char fix_id[128];

  virtual void setup();

  virtual void write_reax_atoms();

  virtual int estimate_reax_lists();

src/USER-REAXC/pair_reaxc.cpp

+3 −1
Original line number Diff line number Diff line
@@ -74,7 +74,8 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp) 
  manybody_flag = 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 *)

    memory->smalloc(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 );

src/USER-REAXC/pair_reaxc.h

+1 −1
Original line number Diff line number Diff line
@@ -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

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