ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

sync with Git

Browse Source 
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
Download Patch File Download Diff File Expand all files Collapse all files

9
src/compute_orientorder_atom.cpp
View File

@ -45,7 +45,8 @@ using namespace std;
/* ---------------------------------------------------------------------- */
ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
distsq(NULL), nearest(NULL), rlist(NULL), qlist(NULL), qnarray(NULL), qnm_r(NULL), qnm_i(NULL)
{
if (narg < 3 ) error->all(FLERR,"Illegal compute orientorder/atom command");
@ -109,13 +110,7 @@ ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg
size_peratom_cols = ncol;
nmax = 0;
qnarray = NULL;
maxneigh = 0;
distsq = NULL;
nearest = NULL;
rlist = NULL;
qnm_r = NULL;
qnm_i = NULL;
}
/* ---------------------------------------------------------------------- */