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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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24
src/dump_atom.cpp
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@ -230,7 +230,7 @@ void DumpAtom::pack_scale_image(int *ids)
int *tag = atom->tag;
int *type = atom->type;
int *image = atom->image;
tagint *image = atom->image;
int *mask = atom->mask;
double **x = atom->x;
int nlocal = atom->nlocal;
@ -247,9 +247,9 @@ void DumpAtom::pack_scale_image(int *ids)
buf[m++] = (x[i][0] - boxxlo) * invxprd;
buf[m++] = (x[i][1] - boxylo) * invyprd;
buf[m++] = (x[i][2] - boxzlo) * invzprd;
buf[m++] = (image[i] & 1023) - 512;
buf[m++] = (image[i] >> 10 & 1023) - 512;
buf[m++] = (image[i] >> 20) - 512;
buf[m++] = (image[i] & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMG2BITS) - IMGMAX;
if (ids) ids[n++] = tag[i];
}
}
@ -290,7 +290,7 @@ void DumpAtom::pack_scale_image_triclinic(int *ids)
int *tag = atom->tag;
int *type = atom->type;
int *image = atom->image;
tagint *image = atom->image;
int *mask = atom->mask;
double **x = atom->x;
int nlocal = atom->nlocal;
@ -306,9 +306,9 @@ void DumpAtom::pack_scale_image_triclinic(int *ids)
buf[m++] = lamda[0];
buf[m++] = lamda[1];
buf[m++] = lamda[2];
buf[m++] = (image[i] & 1023) - 512;
buf[m++] = (image[i] >> 10 & 1023) - 512;
buf[m++] = (image[i] >> 20) - 512;
buf[m++] = (image[i] & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMG2BITS) - IMGMAX;
if (ids) ids[n++] = tag[i];
}
}
@ -348,7 +348,7 @@ void DumpAtom::pack_noscale_image(int *ids)
int *tag = atom->tag;
int *type = atom->type;
int *image = atom->image;
tagint *image = atom->image;
int *mask = atom->mask;
double **x = atom->x;
int nlocal = atom->nlocal;
@ -361,9 +361,9 @@ void DumpAtom::pack_noscale_image(int *ids)
buf[m++] = x[i][0];
buf[m++] = x[i][1];
buf[m++] = x[i][2];
buf[m++] = (image[i] & 1023) - 512;
buf[m++] = (image[i] >> 10 & 1023) - 512;
buf[m++] = (image[i] >> 20) - 512;
buf[m++] = (image[i] & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
buf[m++] = (image[i] >> IMG2BITS) - IMGMAX;
if (ids) ids[n++] = tag[i];
}
}