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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:06:37 +00:00
parent aa33af4032
commit f37ae6cb74
48 changed files with 283 additions and 312 deletions
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8
src/USER-REAXC/fix_qeq_reax.cpp
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@ -58,10 +58,10 @@ FixQEqReax::FixQEqReax(LAMMPS *lmp, int narg, char **arg) :
{
if (narg != 8) error->all(FLERR,"Illegal fix qeq/reax command");
nevery = atoi(arg[3]);
swa = atof(arg[4]);
swb = atof(arg[5]);
tolerance = atof(arg[6]);
nevery = force->inumeric(FLERR,arg[3]);
swa = force->numeric(FLERR,arg[4]);
swb = force->numeric(FLERR,arg[5]);
tolerance = force->numeric(FLERR,arg[6]);
pertype_parameters(arg[7]);
shld = NULL;