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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2823 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-05-19 15:00:00 +00:00
parent bf4a17aa0f
commit b6cd5233bd
1 changed files with 11 additions and 15 deletions
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26
src/set.cpp
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@ -317,13 +317,6 @@ void Set::selection(int n)
void Set::set(int keyword)
{
// set granular and peridynamic flags
int granflag = 0;
int periflag = 0;
if (atom->style_match("granular")) granflag = 1;
if (atom->style_match("peri")) periflag = 1;
if (keyword == DIPOLE) atom->check_dipole();
selection(atom->nlocal);
@ -341,24 +334,27 @@ void Set::set(int keyword)
else if (keyword == VZ) atom->v[i][2] = dvalue;
else if (keyword == CHARGE) atom->q[i] = dvalue;
// diameter setting triggers setting of rmass
// set radius from diameter
// set rmass if both rmass and density are defined
else if (keyword == DIAMETER) {
atom->radius[i] = 0.5 * dvalue;
atom->rmass[i] = 4.0*PI/3.0 *
atom->radius[i]*atom->radius[i]*atom->radius[i] * atom->density[i];
if (atom->rmass_flag && atom->density_flag)
atom->rmass[i] = 4.0*PI/3.0 *
atom->radius[i]*atom->radius[i]*atom->radius[i] * atom->density[i];
// density setting triggers setting of rmass
// for granular, rmass is function of diameter and density
// for peri, rmass stores density directly
// set density
// set rmass (granular) if both rmass and radius are defined
// set rmass (peri) if both rmass and vfrac are defined
} else if (keyword == DENSITY) {
atom->density[i] = dvalue;
if (granflag)
if (atom->rmass_flag && atom->radius_flag)
atom->rmass[i] = 4.0*PI/3.0 *
atom->radius[i]*atom->radius[i]*atom->radius[i] *
atom->density[i];
if (periflag) atom->rmass[i] = dvalue;
else if (atom->rmass_flag && atom->vfrac_flag)
atom->rmass[i] = dvalue;
} else if (keyword == VOLUME) atom->vfrac[i] = dvalue;