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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2886 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-06-22 21:13:25 +00:00
parent a8072c435a
commit fd89022784
1 changed files with 2 additions and 2 deletions
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4
src/REAX/fix_reax_bonds.cpp
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@ -121,7 +121,7 @@ void FixReaxBonds::OutputReaxBonds(int timestep, FILE *fp)
MPI_Comm_size(world,&nprocs); MPI_Comm_size(world,&nprocs);
nparticles = atom->nlocal; nparticles = atom->nlocal;
nparticles_tot = atom->natoms; nparticles_tot = static_cast<int> (atom->natoms);
mbond = ReaxParams::mbond; mbond = ReaxParams::mbond;
FORTRAN(getnsbmax,GETNSBMAX)(&nsbmax); FORTRAN(getnsbmax,GETNSBMAX)(&nsbmax);
@ -146,7 +146,7 @@ void FixReaxBonds::OutputReaxBonds(int timestep, FILE *fp)
// nbuf_local = size of local buffer for table of atom bonds // nbuf_local = size of local buffer for table of atom bonds
nbuf = 1+(2*nsbmax_most+7)*most; nbuf = 1+(2*nsbmax_most+7)*most;
buf = memory->smalloc(nbuf*sizeof(double),"reax/bonds:buf"); buf = (double *) memory->smalloc(nbuf*sizeof(double),"reax/bonds:buf");
j = 2; j = 2;
jn = ReaxParams::nat; jn = ReaxParams::nat;