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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12260 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-08-06 17:17:13 +00:00
parent bec3e62241
commit 2f8e551ce1
2 changed files with 3 additions and 1 deletions
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2
src/USER-REAXC/fix_qeq_reax.cpp
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@ -104,6 +104,8 @@ FixQEqReax::FixQEqReax(LAMMPS *lmp, int narg, char **arg) :
H.jlist = NULL;
H.val = NULL;
comm_forward = comm_reverse = 1;
// perform initial allocation of atom-based arrays
// register with Atom class

2
src/USER-REAXC/fix_reaxc_species.cpp
View File

@ -67,7 +67,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
nrepeat = atoi(arg[4]);
global_freq = nfreq = atoi(arg[5]);
comm_forward = 1;
comm_forward = 5;
if (nevery <= 0 || nrepeat <= 0 || nfreq <= 0)
error->all(FLERR,"Illegal fix reax/c/species command");