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Added check on size of NNEIGHMAXDEF 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4364 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2010-06-30 16:11:27 +00:00
parent 6f7c86254b
commit de6867c834
1 changed files with 4 additions and 2 deletions
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6
src/REAX/pair_reax.cpp
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@ -335,7 +335,8 @@ void PairREAX::write_reax_vlist()
iii = j+1;
jjj = i+1;
}
if (nvpair >= nvpairmax) break;
if (nvpair >= nvpairmax)
error->one("reax_defs.h::NNEIGHMAXDEF too small");
FORTRAN(cbkpairs, CBKPAIRS).nvl1[nvpair] = iii;
FORTRAN(cbkpairs, CBKPAIRS).nvl2[nvpair] = jjj;
@ -393,7 +394,8 @@ void PairREAX::write_reax_vlist()
iii = i+1;
jjj = j+1;
if (nvpair >= nvpairmax) break;
if (nvpair >= nvpairmax)
error->one("reax_defs.h::NNEIGHMAXDEF too small");
FORTRAN(cbkpairs, CBKPAIRS).nvl1[nvpair] = iii;
FORTRAN(cbkpairs, CBKPAIRS).nvl2[nvpair] = jjj;