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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-08-29 22:52:03 +00:00
parent 236241b100
commit 2993aec312
48 changed files with 109 additions and 135 deletions
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8
src/compute_dipole_chunk.cpp
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@ -30,7 +30,9 @@ enum { MASSCENTER, GEOMCENTER };
/* ---------------------------------------------------------------------- */
ComputeDipoleChunk::ComputeDipoleChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
idchunk(NULL), massproc(NULL), masstotal(NULL), chrgproc(NULL), chrgtotal(NULL), com(NULL),
comall(NULL), dipole(NULL), dipoleall(NULL)
{
if ((narg != 4) && (narg != 5)) error->all(FLERR,"Illegal compute dipole/chunk command");
@ -60,10 +62,6 @@ ComputeDipoleChunk::ComputeDipoleChunk(LAMMPS *lmp, int narg, char **arg) :
nchunk = 1;
maxchunk = 0;
massproc = masstotal = NULL;
chrgproc = chrgtotal = NULL;
com = comall = NULL;
dipole = dipoleall = NULL;
allocate();
}