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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1967 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-07-25 14:41:48 +00:00
parent 0afdb0b938
commit cc44a57275
10 changed files with 133 additions and 107 deletions
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37
src/set.cpp
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@ -185,10 +185,8 @@ void Set::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"density") == 0) {
if (iarg+2 > narg) error->all("Illegal set command");
dvalue = atof(arg[iarg+1]);
/*
if (!atom->density_flag)
error->all("Cannot set this attribute for this atom style");
*/
set(DENSITY);
iarg += 2;
} else if (strcmp(arg[iarg],"volume") == 0) {
@ -302,6 +300,13 @@ 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);
@ -318,6 +323,9 @@ void Set::set(int keyword)
else if (keyword == VY) atom->v[i][1] = dvalue;
else if (keyword == VZ) atom->v[i][2] = dvalue;
else if (keyword == CHARGE) atom->q[i] = dvalue;
// diameter setting triggers setting of rmass
else if (keyword == DIAMETER) {
atom->radius[i] = 0.5 * dvalue;
if (domain->dimension == 3)
@ -326,17 +334,24 @@ void Set::set(int keyword)
else
atom->rmass[i] = PI *
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
} else if (keyword == DENSITY) {
atom->rmass[i] = dvalue;
/*
atom->density[i] = dvalue;
if (domain->dimension == 3)
atom->rmass[i] = 4.0*PI/3.0 *
atom->radius[i]*atom->radius[i]*atom->radius[i] * atom->density[i];
else
atom->rmass[i] = PI *
atom->radius[i]*atom->radius[i] * atom->density[i];
*/
if (granflag) {
if (domain->dimension == 3)
atom->rmass[i] = 4.0*PI/3.0 *
atom->radius[i]*atom->radius[i]*atom->radius[i] *
atom->density[i];
else
atom->rmass[i] = PI *
atom->radius[i]*atom->radius[i] * atom->density[i];
}
if (periflag) atom->rmass[i] = dvalue;
} else if (keyword == VOLUME) atom->vfrac[i] = dvalue;
else if (keyword == DIPOLE) {