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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-01-05 22:26:08 +00:00
parent e1f72f6d3a
commit 0cc1d090f4
90 changed files with 1129 additions and 779 deletions
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5
src/compute_coord_atom.cpp
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@ -15,6 +15,7 @@
#include "stdlib.h"
#include "compute_coord_atom.h"
#include "atom.h"
#include "update.h"
#include "modify.h"
#include "neighbor.h"
#include "neigh_list.h"
@ -27,8 +28,6 @@
using namespace LAMMPS_NS;
#define INVOKED_PERATOM 4
/* ---------------------------------------------------------------------- */
ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
@ -90,7 +89,7 @@ void ComputeCoordAtom::compute_peratom()
double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
int *ilist,*jlist,*numneigh,**firstneigh;
invoked |= INVOKED_PERATOM;
invoked_peratom = update->ntimestep;
// grow coordination array if necessary