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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3023 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-08-08 20:06:53 +00:00
parent efea2a1835
commit eb63ce2377
63 changed files with 369 additions and 329 deletions
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10
src/pair_morse.cpp
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@ -162,7 +162,7 @@ void PairMorse::settings(int narg, char **arg)
{
if (narg != 1) error->all("Illegal pair_style command");
cut_global = atof(arg[0]);
cut_global = force->numeric(arg[0]);
// reset cutoffs that have been explicitly set
@ -187,12 +187,12 @@ 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 = atof(arg[2]);
double alpha_one = atof(arg[3]);
double r0_one = atof(arg[4]);
double d0_one = force->numeric(arg[2]);
double alpha_one = force->numeric(arg[3]);
double r0_one = force->numeric(arg[4]);
double cut_one = cut_global;
if (narg == 6) cut_one = atof(arg[5]);
if (narg == 6) cut_one = force->numeric(arg[5]);
int count = 0;
for (int i = ilo; i <= ihi; i++) {