Commit ff535daa authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 59dda9f0

src/ASPHERE/atom_vec_ellipsoid.cpp

+2 −0
Original line number Diff line number Diff line
@@ -44,6 +44,8 @@ AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp, int narg, char **arg) : 
  size_data_atom = 9;

  size_data_vel = 7;

  xcol_data = 3;



  atom->angmom_flag = atom->torque_flag = atom->quat_flag = 1;

}



/* ---------------------------------------------------------------------- */

src/ASPHERE/compute_temp_asphere.cpp

+1 −1
Original line number Diff line number Diff line
@@ -35,7 +35,7 @@ ComputeTempAsphere::ComputeTempAsphere(LAMMPS *lmp, int narg, char **arg) : 
{

  if (narg != 3) error->all("Illegal compute temp command");



  if (atom->quat == NULL || atom->angmom == NULL)

  if (!atom->quat_flag || !atom->angmom_flag)

    error->all("Compute temp/asphere requires atom attributes quat, angmom");



  scalar_flag = vector_flag = 1;

src/ASPHERE/fix_npt_asphere.cpp

+1 −1
Original line number Diff line number Diff line
@@ -34,7 +34,7 @@ using namespace LAMMPS_NS; 
FixNPTASphere::FixNPTASphere(LAMMPS *lmp, int narg, char **arg) :

  FixNPT(lmp, narg, arg)

{

  if (atom->quat == NULL || atom->angmom == NULL || atom->torque == NULL)

  if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag)

    error->all("Fix npt/asphere requires atom attributes "

	       "quat, angmom, torque");

}

src/ASPHERE/fix_nve_asphere.cpp

+1 −1
Original line number Diff line number Diff line
@@ -37,7 +37,7 @@ FixNVEASphere::FixNVEASphere(LAMMPS *lmp, int narg, char **arg) : 
  Fix(lmp, narg, arg)

{

  if (narg < 3) error->all("Illegal fix nve/asphere command");

  if (atom->quat == NULL || atom->angmom == NULL || atom->torque == NULL)

  if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag)

    error->all("Fix nve/asphere requires atom attributes "

	       "quat, angmom, torque");

  inertia =

src/ASPHERE/fix_nvt_asphere.cpp

+1 −1
Original line number Diff line number Diff line
@@ -36,7 +36,7 @@ using namespace LAMMPS_NS; 
FixNVTASphere::FixNVTASphere(LAMMPS *lmp, int narg, char **arg) :

  FixNVT(lmp, narg, arg)

{

  if (atom->quat == NULL || atom->angmom == NULL || atom->torque == NULL)

  if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag)

    error->all("Fix nvt/asphere requires atom attributes "

	       "quat, angmom, torque");

}

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