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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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6
src/replicate.cpp
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@ -255,7 +255,8 @@ void Replicate::command(int narg, char **arg)
AtomVec *old_avec = old->avec;
AtomVec *avec = atom->avec;
int ix,iy,iz,image,atom_offset,mol_offset;
int ix,iy,iz,atom_offset,mol_offset;
tagint image;
double x[3],lamda[3];
double *coord;
int tag_enable = atom->tag_enable;
@ -276,7 +277,8 @@ void Replicate::command(int narg, char **arg)
m = 0;
while (m < n) {
image = (512 << 20) | (512 << 10) | 512;
image = ((tagint) IMGMAX << IMG2BITS) |
((tagint) IMGMASK << IMGBITS) | IMGMAX;
if (triclinic == 0) {
x[0] = buf[m+1] + ix*old_xprd;
x[1] = buf[m+2] + iy*old_yprd;