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Merge pull request #3744 from jtclemm/granular-updates

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Small fixes to GRANULAR
This commit is contained in:
Axel Kohlmeyer
2023-04-20 19:51:52 -04:00
committed by GitHub
parent e99a41158e 6ef6d6f0b2
commit e6e7121445
3 changed files with 9 additions and 15 deletions
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4
doc/src/pair_granular.rst
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@ -650,13 +650,13 @@ For *heat* *area*, the heat
.. math::
Q = k_{s} a \Delta T
Q = k_{s} A \Delta T
where :math:`\Delta T` is the difference in the two particles' temperature,
:math:`k_{s}` is a non-negative numeric value for the conductivity, and
:math:`a` is the area of the contact and depends on the normal force model.
:math:`A` is the area of the contact and depends on the normal force model.
Note that the option *none* must either be used in all or none of of the
*pair_coeff* calls. See :doc:`fix heat/flow <fix_heat_flow>` and

15
src/GRANULAR/fix_wall_gran.cpp
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@ -52,7 +52,7 @@ enum {NONE,CONSTANT,EQUAL};
/* ---------------------------------------------------------------------- */
FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), idregion(nullptr), history_one(nullptr),
Fix(lmp, narg, arg), idregion(nullptr), tstr(nullptr), history_one(nullptr),
fix_rigid(nullptr), mass_rigid(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal fix wall/gran command");
@ -127,9 +127,6 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
// wallstyle args
idregion = nullptr;
tstr = nullptr;
if (iarg >= narg) error->all(FLERR, "Illegal fix wall/gran command");
if (strcmp(arg[iarg],"xplane") == 0) {
@ -247,13 +244,11 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
// perform initial allocation of atom-based arrays
// register with Atom class
history_one = nullptr;
FixWallGran::grow_arrays(atom->nmax);
atom->add_callback(Atom::GROW);
atom->add_callback(Atom::RESTART);
nmax = 0;
mass_rigid = nullptr;
// initialize history as if particle is not touching region
// history_one will be a null pointer for wallstyle = REGION
@ -325,7 +320,6 @@ void FixWallGran::init()
// check for FixRigid so can extract rigid body masses
fix_rigid = nullptr;
for (i = 0; i < modify->nfix; i++)
if (modify->fix[i]->rigid_flag) break;
if (i < modify->nfix) fix_rigid = modify->fix[i];
@ -454,7 +448,7 @@ void FixWallGran::post_force(int /*vflag*/)
}
for (int i = 0; i < nlocal; i++) {
if ((!mask[i]) & groupbit) continue;
if (!(mask[i] & groupbit)) continue;
dx = dy = dz = 0.0;
@ -550,7 +544,10 @@ void FixWallGran::post_force(int /*vflag*/)
}
}
void FixWallGran::clear_stored_contacts() {
/* ---------------------------------------------------------------------- */
void FixWallGran::clear_stored_contacts()
{
const int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) {
for (int m = 0; m < size_peratom_cols; m++) {

5
src/GRANULAR/fix_wall_gran_region.cpp
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@ -59,9 +59,6 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
memory->destroy(history_one);
history_one = nullptr;
ncontact = nullptr;
walls = nullptr;
history_many = nullptr;
FixWallGranRegion::grow_arrays(atom->nmax);
// initialize shear history as if particle is not touching region
@ -193,7 +190,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
}
for (i = 0; i < nlocal; i++) {
if ((!mask[i]) & groupbit) continue;
if (!(mask[i] & groupbit)) continue;
if (! region->match(x[i][0], x[i][1], x[i][2])) continue;
nc = region->surface(x[i][0], x[i][1], x[i][2], radius[i] + model->pulloff_distance(radius[i], 0.0));