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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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This commit is contained in:
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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14
src/USER-MISC/fix_imd.cpp
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@ -823,7 +823,7 @@ void FixIMD::post_force(int vflag)
int *tag = atom->tag;
double **x = atom->x;
int *image = atom->image;
tagint *image = atom->image;
int nlocal = atom->nlocal;
int *mask = atom->mask;
struct commdata *buf;
@ -1036,9 +1036,9 @@ void FixIMD::post_force(int vflag)
if (mask[i] & groupbit) {
const int j = 3*inthash_lookup((inthash_t *)idmap, tag[i]);
if (j != HASH_FAIL) {
int ix = (image[i] & 1023) - 512;
int iy = (image[i] >> 10 & 1023) - 512;
int iz = (image[i] >> 20) - 512;
int ix = (image[i] & IMGMASK) - IMGMAX;
int iy = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
int iz = (image[i] >> IMG2BITS) - IMGMAX;
if (domain->triclinic) {
recvcoord[j] = x[i][0] + ix * xprd + iy * xy + iz * xz;
@ -1112,9 +1112,9 @@ void FixIMD::post_force(int vflag)
for (i=0; i<nlocal; ++i) {
if (mask[i] & groupbit) {
int ix = (image[i] & 1023) - 512;
int iy = (image[i] >> 10 & 1023) - 512;
int iz = (image[i] >> 20) - 512;
int ix = (image[i] & IMGMASK) - IMGMAX;
int iy = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
int iz = (image[i] >> IMG2BITS) - IMGMAX;
if (domain->triclinic) {
buf[nme].tag = tag[i];