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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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14
src/pair_beck.cpp
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@ -174,7 +174,7 @@ void PairBeck::settings(int narg, char **arg)
{
if (narg != 1) error->all(FLERR,"Illegal pair_style command");
cut_global = atof(arg[0]);
cut_global = force->numeric(FLERR,arg[0]);
// reset cutoffs that have been explicitly set
@ -202,14 +202,14 @@ void PairBeck::coeff(int narg, char **arg)
force->bounds(arg[0],atom->ntypes,ilo,ihi);
force->bounds(arg[1],atom->ntypes,jlo,jhi);
double AA_one = atof(arg[2]);
double BB_one = atof(arg[3]);
double aa_one = atof(arg[4]);
double alpha_one = atof(arg[5]);
double beta_one = atof(arg[6]);
double AA_one = force->numeric(FLERR,arg[2]);
double BB_one = force->numeric(FLERR,arg[3]);
double aa_one = force->numeric(FLERR,arg[4]);
double alpha_one = force->numeric(FLERR,arg[5]);
double beta_one = force->numeric(FLERR,arg[6]);
double cut_one = cut_global;
if (narg == 8) cut_one = atof(arg[7]);
if (narg == 8) cut_one = force->numeric(FLERR,arg[7]);
int count = 0;
for (int i = ilo; i <= ihi; i++) {