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_ke_atom.cpp
View File

@ -31,7 +31,7 @@ ComputeKEAtom::ComputeKEAtom(LAMMPS *lmp, int narg, char **arg) :
if (narg != 3) error->all("Illegal compute ke/atom command");
peratom_flag = 1;
size_peratom = 0;
size_peratom_cols = 0;
nmax = 0;
ke = NULL;
@ -67,7 +67,7 @@ void ComputeKEAtom::compute_peratom()
memory->sfree(ke);
nmax = atom->nmax;
ke = (double *) memory->smalloc(nmax*sizeof(double),"ke/atom:ke");
scalar_atom = ke;
vector_atom = ke;
}
// compute kinetic energy for each atom in group