From 74b2fd396fd889f28de027571d740d4d84aa781d Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 18 Jul 2007 15:08:11 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@752 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_deform.cpp | 30 ++++++++++++++++++------------ 1 file changed, 18 insertions(+), 12 deletions(-) diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 4ec2510f66..3cc971972f 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -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();