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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-12-04 21:03:54 +00:00
parent 39edb1a6c2
commit 97cfbf8fb4
57 changed files with 272 additions and 232 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/compute_coord_atom.cpp
View File

@ -40,7 +40,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
cutsq = cutoff*cutoff;
peratom_flag = 1;
size_peratom = 0;
size_peratom_cols = 0;
nmax = 0;
coordination = NULL;
@ -102,7 +102,7 @@ void ComputeCoordAtom::compute_peratom()
nmax = atom->nmax;
coordination = (double *)
memory->smalloc(nmax*sizeof(double),"coord/atom:coordination");
scalar_atom = coordination;
vector_atom = coordination;
}
// invoke full neighbor list (will copy or build if necessary)