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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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6
src/compute_hexorder_atom.cpp
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@ -44,7 +44,8 @@ using namespace MathConst;
/* ---------------------------------------------------------------------- */
ComputeHexOrderAtom::ComputeHexOrderAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
distsq(NULL), nearest(NULL), qnarray(NULL)
{
if (narg < 3 ) error->all(FLERR,"Illegal compute hexorder/atom command");
@ -87,10 +88,7 @@ ComputeHexOrderAtom::ComputeHexOrderAtom(LAMMPS *lmp, int narg, char **arg) :
size_peratom_cols = ncol;
nmax = 0;
qnarray = NULL;
maxneigh = 0;
distsq = NULL;
nearest = NULL;
}
/* ---------------------------------------------------------------------- */