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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9006 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-10-25 16:24:37 +00:00
parent cb9d45386c
commit 6f4bba7edf
11 changed files with 149 additions and 287 deletions
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15
src/velocity.cpp
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@ -718,20 +718,15 @@ void Velocity::zero_rotation()
tagint *image = atom->image;
int nlocal = atom->nlocal;
int xbox,ybox,zbox;
double dx,dy,dz;
double xprd = domain->xprd;
double yprd = domain->yprd;
double zprd = domain->zprd;
double unwrap[3];
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
xbox = (image[i] & IMGMASK) - IMGMAX;
ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
zbox = (image[i] >> IMG2BITS) - IMGMAX;
dx = (x[i][0] + xbox*xprd) - xcm[0];
dy = (x[i][1] + ybox*yprd) - xcm[1];
dz = (x[i][2] + zbox*zprd) - xcm[2];
domain->unmap(x[i],image[i],unwrap);
dx = unwrap[0]- xcm[0];
dy = unwrap[1] - xcm[1];
dz = unwrap[2] - xcm[2];
v[i][0] -= omega[1]*dz - omega[2]*dy;
v[i][1] -= omega[2]*dx - omega[0]*dz;
v[i][2] -= omega[0]*dy - omega[1]*dx;