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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5932 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-04-13 21:40:14 +00:00
parent e45fbd89d1
commit 819524ebd6
71 changed files with 1167 additions and 2718 deletions
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24
src/fix_adapt.cpp
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@ -307,25 +307,31 @@ void FixAdapt::change_settings()
} else if (ad->which == ATOM) {
// set radius from diameter
// also set rmass if both rmass and density are defined
// also scale rmass to new value
if (ad->aparam == DIAMETER) {
int mflag = 0;
if (atom->rmass_flag && atom->density_flag) mflag = 1;
if (atom->rmass_flag) mflag = 1;
double PI = 4.0*atan(1.0);
double density;
double *radius = atom->radius;
double *rmass = atom->rmass;
double *density = atom->density;
int *mask = atom->mask;
int nlocal = atom->nlocal;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
radius[i] = 0.5*value;
if (mflag) rmass[i] = 4.0*PI/3.0 *
radius[i]*radius[i]*radius[i] * density[i];
}
if (mflag == 0) {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
radius[i] = 0.5*value;
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
density = rmass[i] / (4.0*PI/3.0 * radius[i]*radius[i]*radius[i]);
radius[i] = 0.5*value;
rmass[i] = 4.0*PI/3.0 * radius[i]*radius[i]*radius[i] * density;
}
}
}
}
}