From 9472ecf4a4e1b66e3571bd1066796abc738d05f8 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 25 Oct 2007 22:51:46 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1102 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_deform.cpp | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 3a428de7ff..153d7a6b0d 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -259,15 +259,14 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) for (int i = 0; i < 3; i++) { set[i].lo_initial = domain->boxlo[i]; set[i].hi_initial = domain->boxhi[i]; + set[i].vol_initial = domain->xprd * domain->yprd * domain->zprd; } for (int i = 3; i < 6; i++) { if (i == 5) set[i].tilt_initial = domain->xy; else if (i == 4) set[i].tilt_initial = domain->xz; else if (i == 3) set[i].tilt_initial = domain->yz; - set[i].vol_initial = domain->xprd * domain->yprd * domain->zprd; } - // initial settings // reneighboring only forced if flips will occur due to shape changes if (set[3].style || set[4].style || set[5].style) force_reneighbor = 1; @@ -533,7 +532,6 @@ void FixDeform::end_of_step() if (set[i].style != VOLUME) continue; if (set[i].substyle == ONE_FROM_ONE) { - if (i == 1) set[i].lo_target = 0.5*(set[i].lo_start+set[i].hi_start) - 0.5*(set[i].vol_start / (set[set[i].dynamic1].hi_target -