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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1470 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-02-08 19:47:58 +00:00
parent cbe6927348
commit a15113ed1f
14 changed files with 37 additions and 14 deletions
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6
src/ASPHERE/fix_nve_asphere.cpp
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@ -21,6 +21,7 @@
#include "fix_nve_asphere.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
#include "update.h"
#include "memory.h"
@ -36,9 +37,10 @@ using namespace LAMMPS_NS;
FixNVEASphere::FixNVEASphere(LAMMPS *lmp, int narg, char **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)
error->all("Fix nve/asphere requires atom attributes "
"quat, angmom, torque");
"quat, angmom, torque, shape");
inertia =
memory->create_2d_double_array(atom->ntypes+1,3,"fix_temp_sphere:inertia");
}