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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7177 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-10-24 17:45:39 +00:00
parent fa80bceb30
commit cb5b707c74
13 changed files with 196 additions and 615 deletions
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18
src/fix_nve_sphere.cpp
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@ -61,21 +61,11 @@ FixNVESphere::FixNVESphere(LAMMPS *lmp, int narg, char **arg) :
/* ---------------------------------------------------------------------- */
int FixNVESphere::setmask()
{
int mask = 0;
mask |= INITIAL_INTEGRATE;
mask |= FINAL_INTEGRATE;
mask |= INITIAL_INTEGRATE_RESPA;
mask |= FINAL_INTEGRATE_RESPA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixNVESphere::init()
{
// check that all particles are finite-size
FixNVE::init();
// check that all particles are finite-size spheres
// no point particles allowed
double *radius = atom->radius;
@ -86,8 +76,6 @@ void FixNVESphere::init()
if (mask[i] & groupbit)
if (radius[i] == 0.0)
error->one(FLERR,"Fix nve/sphere requires extended particles");
FixNVE::init();
}
/* ---------------------------------------------------------------------- */