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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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14
src/fix_nve_sphere.cpp
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@ -33,7 +33,7 @@ enum{NONE,DIPOLE};
FixNVESphere::FixNVESphere(LAMMPS *lmp, int narg, char **arg) :
FixNVE(lmp, narg, arg)
{
if (narg < 3) error->all("Illegal fix nve/sphere command");
if (narg < 3) error->all(FLERR,"Illegal fix nve/sphere command");
time_integrate = 1;
@ -44,19 +44,19 @@ FixNVESphere::FixNVESphere(LAMMPS *lmp, int narg, char **arg) :
int iarg = 3;
while (iarg < narg) {
if (strcmp(arg[iarg],"update") == 0) {
if (iarg+2 > narg) error->all("Illegal fix nve/sphere command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix nve/sphere command");
if (strcmp(arg[iarg+1],"dipole") == 0) extra = DIPOLE;
else error->all("Illegal fix nve/sphere command");
else error->all(FLERR,"Illegal fix nve/sphere command");
iarg += 2;
} else error->all("Illegal fix nve/sphere command");
} else error->all(FLERR,"Illegal fix nve/sphere command");
}
// error checks
if (!atom->sphere_flag)
error->all("Fix nve/sphere requires atom style sphere");
error->all(FLERR,"Fix nve/sphere requires atom style sphere");
if (extra == DIPOLE && !atom->mu_flag)
error->all("Fix nve/sphere requires atom attribute mu");
error->all(FLERR,"Fix nve/sphere requires atom attribute mu");
}
/* ---------------------------------------------------------------------- */
@ -85,7 +85,7 @@ void FixNVESphere::init()
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
if (radius[i] == 0.0)
error->one("Fix nve/sphere requires extended particles");
error->one(FLERR,"Fix nve/sphere requires extended particles");
FixNVE::init();
}