git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3496 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2009-12-03 23:58:29 +00:00
parent a867da2a14
commit 36f43b1ffa
5 changed files with 270 additions and 5 deletions

View File

@ -71,7 +71,6 @@ ComputeDisplaceAtom::~ComputeDisplaceAtom()
void ComputeDisplaceAtom::init()
{
// set fix which stores original atom coords
// check if is correct style
int ifix = modify->find_fix(id_fix);
if (ifix < 0) error->all("Could not find compute displace/atom fix ID");
@ -109,6 +108,7 @@ void ComputeDisplaceAtom::compute_peratom()
double xprd = domain->xprd;
double yprd = domain->yprd;
double zprd = domain->zprd;
int xbox,ybox,zbox;
double dx,dy,dz;