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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-17 20:04:47 +00:00
parent 415869c64e
commit 8d91cd6387
1 changed files with 18 additions and 19 deletions
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37
src/GRANULAR/atom_vec_granular.cpp
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@ -5,7 +5,7 @@
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
@ -58,13 +58,12 @@ AtomVecGranular::AtomVecGranular(LAMMPS *lmp, int narg, char **arg) :
void AtomVecGranular::init()
{
// set radvary if particle diameters are time-varying due to fix adapt
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"adapt") == 0) {
FixAdapt *fix = (FixAdapt *) modify->fix[i];
if (fix->diamflag) {
radvary = 1;
size_forward = 5;
radvary = 1;
size_forward = 5;
}
}
}
@ -72,7 +71,7 @@ void AtomVecGranular::init()
/* ----------------------------------------------------------------------
grow atom arrays
n = 0 grows arrays by DELTA
n > 0 allocates arrays to size n
n > 0 allocates arrays to size n
------------------------------------------------------------------------- */
void AtomVecGranular::grow(int n)
@ -81,13 +80,13 @@ void AtomVecGranular::grow(int n)
else nmax = n;
atom->nmax = nmax;
tag = atom->tag = (int *)
tag = atom->tag = (int *)
memory->srealloc(atom->tag,nmax*sizeof(int),"atom:tag");
type = atom->type = (int *)
memory->srealloc(atom->type,nmax*sizeof(int),"atom:type");
mask = atom->mask = (int *)
mask = atom->mask = (int *)
memory->srealloc(atom->mask,nmax*sizeof(int),"atom:mask");
image = atom->image = (int *)
image = atom->image = (int *)
memory->srealloc(atom->image,nmax*sizeof(int),"atom:image");
x = atom->x = memory->grow_2d_double_array(atom->x,nmax,3,"atom:x");
v = atom->v = memory->grow_2d_double_array(atom->v,nmax,3,"atom:v");
@ -100,13 +99,13 @@ void AtomVecGranular::grow(int n)
rmass = atom->rmass = (double *)
memory->srealloc(atom->rmass,nmax*sizeof(double),"atom:rmass");
omega = atom->omega =
omega = atom->omega =
memory->grow_2d_double_array(atom->omega,nmax,3,"atom:omega");
torque = atom->torque =
memory->grow_2d_double_array(atom->torque,nmax,3,"atom:torque");
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
modify->fix[atom->extra_grow[iextra]]->grow_arrays(nmax);
}
@ -146,7 +145,7 @@ void AtomVecGranular::copy(int i, int j)
omega[j][2] = omega[i][2];
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
modify->fix[atom->extra_grow[iextra]]->copy_arrays(i,j);
}
@ -193,8 +192,8 @@ int AtomVecGranular::pack_comm(int n, int *list, double *buf,
buf[m++] = x[j][0];
buf[m++] = x[j][1];
buf[m++] = x[j][2];
buf[m++] = radius[i];
buf[m++] = rmass[i];
buf[m++] = radius[j];
buf[m++] = rmass[j];
}
} else {
if (domain->triclinic == 0) {
@ -211,8 +210,8 @@ int AtomVecGranular::pack_comm(int n, int *list, double *buf,
buf[m++] = x[j][0] + dx;
buf[m++] = x[j][1] + dy;
buf[m++] = x[j][2] + dz;
buf[m++] = radius[i];
buf[m++] = rmass[i];
buf[m++] = radius[j];
buf[m++] = rmass[j];
}
}
}
@ -275,8 +274,8 @@ int AtomVecGranular::pack_comm_vel(int n, int *list, double *buf,
buf[m++] = x[j][0];
buf[m++] = x[j][1];
buf[m++] = x[j][2];
buf[m++] = radius[i];
buf[m++] = rmass[i];
buf[m++] = radius[j];
buf[m++] = rmass[j];
buf[m++] = v[j][0];
buf[m++] = v[j][1];
buf[m++] = v[j][2];
@ -299,8 +298,8 @@ int AtomVecGranular::pack_comm_vel(int n, int *list, double *buf,
buf[m++] = x[j][0] + dx;
buf[m++] = x[j][1] + dy;
buf[m++] = x[j][2] + dz;
buf[m++] = radius[i];
buf[m++] = rmass[i];
buf[m++] = radius[j];
buf[m++] = rmass[j];
buf[m++] = v[j][0];
buf[m++] = v[j][1];
buf[m++] = v[j][2];