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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-27 20:02:55 +00:00
parent 0d6f0c69fd
commit 2dbe3f80a2
121 changed files with 588 additions and 585 deletions
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10
src/pair_morse.cpp
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@ -154,7 +154,7 @@ void PairMorse::settings(int narg, char **arg)
{
if (narg != 1) error->all(FLERR,"Illegal pair_style command");
cut_global = force->numeric(arg[0]);
cut_global = force->numeric(FLERR,arg[0]);
// reset cutoffs that have been explicitly set
@ -179,12 +179,12 @@ void PairMorse::coeff(int narg, char **arg)
force->bounds(arg[0],atom->ntypes,ilo,ihi);
force->bounds(arg[1],atom->ntypes,jlo,jhi);
double d0_one = force->numeric(arg[2]);
double alpha_one = force->numeric(arg[3]);
double r0_one = force->numeric(arg[4]);
double d0_one = force->numeric(FLERR,arg[2]);
double alpha_one = force->numeric(FLERR,arg[3]);
double r0_one = force->numeric(FLERR,arg[4]);
double cut_one = cut_global;
if (narg == 6) cut_one = force->numeric(arg[5]);
if (narg == 6) cut_one = force->numeric(FLERR,arg[5]);
int count = 0;
for (int i = ilo; i <= ihi; i++) {