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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4797 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-15 23:12:22 +00:00
parent b66411a556
commit 083d7a0b0a
2 changed files with 23 additions and 17 deletions
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3
src/XTC/dump_xtc.cpp
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@ -225,12 +225,10 @@ void DumpXTC::pack(int *ids)
int iz = (image[i] >> 20) - 512;
if (domain->triclinic) {
buf[m++] = tag[i];
buf[m++] = sfactor * (x[i][0] + ix * xprd + iy * xy + iz * xz);
buf[m++] = sfactor * (x[i][1] + iy * yprd + iz * yz);
buf[m++] = sfactor * (x[i][2] + iz * zprd);
} else {
buf[m++] = tag[i];
buf[m++] = sfactor * (x[i][0] + ix * xprd);
buf[m++] = sfactor * (x[i][1] + iy * yprd);
buf[m++] = sfactor * (x[i][2] + iz * zprd);
@ -241,7 +239,6 @@ void DumpXTC::pack(int *ids)
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
buf[m++] = tag[i];
buf[m++] = sfactor*x[i][0];
buf[m++] = sfactor*x[i][1];
buf[m++] = sfactor*x[i][2];