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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2311 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-12-16 19:46:30 +00:00
parent 3b9310594d
commit e1f72f6d3a
5 changed files with 5 additions and 4 deletions
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2
src/ASPHERE/fix_npt_asphere.cpp
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@ -39,7 +39,7 @@ FixNPTAsphere::FixNPTAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNPT(lmp, narg, arg) FixNPT(lmp, narg, arg)
{ {
if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag || if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag ||
!atom->avec->shape_type) !atom->shape)
error->all("Fix npt/asphere requires atom attributes " error->all("Fix npt/asphere requires atom attributes "
"quat, angmom, torque, shape"); "quat, angmom, torque, shape");
} }

2
src/ASPHERE/fix_nve_asphere.cpp
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@ -38,7 +38,7 @@ FixNVEAsphere::FixNVEAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNVE(lmp, narg, arg) FixNVE(lmp, narg, arg)
{ {
if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag || if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag ||
!atom->avec->shape_type) !atom->shape)
error->all("Fix nve/asphere requires atom attributes " error->all("Fix nve/asphere requires atom attributes "
"quat, angmom, torque, shape"); "quat, angmom, torque, shape");
inertia = inertia =

2
src/ASPHERE/fix_nvt_asphere.cpp
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@ -40,7 +40,7 @@ FixNVTAsphere::FixNVTAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNVT(lmp, narg, arg) FixNVT(lmp, narg, arg)
{ {
if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag || if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag ||
!atom->avec->shape_type) !atom->shape)
error->all("Fix nvt/asphere requires atom attributes " error->all("Fix nvt/asphere requires atom attributes "
"quat, angmom, torque, shape"); "quat, angmom, torque, shape");
} }

2
src/COLLOID/pair_lubricate.cpp
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@ -402,7 +402,7 @@ void PairLubricate::init_style()
// insure mono-dispersity // insure mono-dispersity
for (int i = 2; i <= atom->ntypes; i++) for (int i = 2; i <= atom->ntypes; i++)
if (atom->shape[i][0] != atom->shape[1][1]) if (atom->shape[i][0] != atom->shape[1][0])
error->all("Pair lubricate requires mono-disperse particles"); error->all("Pair lubricate requires mono-disperse particles");
int irequest = neighbor->request(this); int irequest = neighbor->request(this);

1
src/neighbor.cpp
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@ -952,6 +952,7 @@ void Neighbor::build()
if (dist_check) { if (dist_check) {
double **x = atom->x; double **x = atom->x;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
if (includegroup) nlocal = atom->nfirst;
if (nlocal > maxhold) { if (nlocal > maxhold) {
maxhold = atom->nmax; maxhold = atom->nmax;
memory->destroy_2d_double_array(xhold); memory->destroy_2d_double_array(xhold);