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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@752 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-07-18 15:08:11 +00:00
parent 46681976b3
commit 74b2fd396f
1 changed files with 18 additions and 12 deletions
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30
src/fix_deform.cpp
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@ -181,7 +181,7 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
}
else xscale = yscale = zscale = 1.0;
// for 3,4,5 scaling is in 1st dimension, e.g. x for xz
// for 3,4,5: scaling is in 1st dimension, e.g. x for xz
double map[6];
map[0] = xscale; map[1] = yscale; map[2] = zscale;
@ -277,7 +277,7 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
set[i].dynamic1 = other1;
} else {
set[i].substyle = ONE_FROM_TWO;
set[i].dynamic2 = other1;
set[i].dynamic1 = other1;
set[i].dynamic2 = other2;
}
}
@ -640,18 +640,24 @@ void FixDeform::end_of_step()
}
// reset global and local box to new size/shape
// only if deform fix is controlling the dimension
domain->boxlo[0] = set[0].lo_target;
domain->boxlo[1] = set[1].lo_target;
domain->boxlo[2] = set[2].lo_target;
domain->boxhi[0] = set[0].hi_target;
domain->boxhi[1] = set[1].hi_target;
domain->boxhi[2] = set[2].hi_target;
if (set[0].style) {
domain->boxlo[0] = set[0].lo_target;
domain->boxhi[0] = set[0].hi_target;
}
if (set[1].style) {
domain->boxlo[1] = set[1].lo_target;
domain->boxhi[1] = set[1].hi_target;
}
if (set[2].style) {
domain->boxlo[2] = set[2].lo_target;
domain->boxhi[2] = set[2].hi_target;
}
if (triclinic) {
domain->yz = set[3].tilt_target;
domain->xz = set[4].tilt_target;
domain->xy = set[5].tilt_target;
if (set[3].style) domain->yz = set[3].tilt_target;
if (set[4].style) domain->xz = set[4].tilt_target;
if (set[5].style) domain->xy = set[5].tilt_target;
}
domain->set_global_box();