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small bug fixes

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-08-31 20:26:15 +00:00
parent e3d0a32272
commit 083ff54c0c
34 changed files with 91 additions and 66 deletions
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9
src/compute_omega_chunk.cpp
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@ -27,8 +27,8 @@ using namespace LAMMPS_NS;
ComputeOmegaChunk::ComputeOmegaChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
idchunk(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL),
angmom(NULL), angmomall(NULL)
idchunk(NULL),massproc(NULL),masstotal(NULL),com(NULL),comall(NULL),
inertia(NULL),inertiaall(NULL),angmom(NULL),angmomall(NULL),omega(NULL)
{
if (narg != 4) error->all(FLERR,"Illegal compute omega/chunk command");
@ -64,6 +64,9 @@ ComputeOmegaChunk::~ComputeOmegaChunk()
memory->destroy(comall);
memory->destroy(angmom);
memory->destroy(angmomall);
memory->destroy(inertia);
memory->destroy(inertiaall);
memory->destroy(omega);
}
/* ---------------------------------------------------------------------- */
@ -83,7 +86,7 @@ void ComputeOmegaChunk::init()
void ComputeOmegaChunk::compute_array()
{
int i,j,m,index;
int i,j,index;
double dx,dy,dz,massone;
double unwrap[3];