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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-25 22:03:31 +00:00
parent 8f6a8d13d5
commit 66c5617afb
83 changed files with 10821 additions and 639 deletions
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8
src/fix_spring_rg.cpp
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@ -105,7 +105,7 @@ void FixSpringRG::post_force(int vflag)
double **x = atom->x;
int *mask = atom->mask;
int *type = atom->type;
int *image = atom->image;
tagint *image = atom->image;
double *mass = atom->mass;
int nlocal = atom->nlocal;
@ -118,9 +118,9 @@ void FixSpringRG::post_force(int vflag)
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
term1 = 2.0 * k * (1.0 - rg0/rg);
xbox = (image[i] & 1023) - 512;
ybox = (image[i] >> 10 & 1023) - 512;
zbox = (image[i] >> 20) - 512;
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];