jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1101 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-10-25 22:45:56 +00:00
parent 5472c92086
commit abb76ff98a
1 changed files with 4 additions and 5 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
src/fix_deform.cpp
View File

@ -327,9 +327,11 @@ void FixDeform::init()
if (update->firststep == update->beginstep) { if (update->firststep == update->beginstep) {
set[i].lo_start = domain->boxlo[i]; set[i].lo_start = domain->boxlo[i];
set[i].hi_start = domain->boxhi[i]; set[i].hi_start = domain->boxhi[i];
set[i].vol_start = domain->xprd * domain->yprd * domain->zprd;
} else { } else {
set[i].lo_start = set[i].lo_initial; set[i].lo_start = set[i].lo_initial;
set[i].hi_start = set[i].hi_initial; set[i].hi_start = set[i].hi_initial;
set[i].vol_start = set[i].vol_initial;
} }
if (set[i].style == FINAL) { if (set[i].style == FINAL) {
@ -366,11 +368,7 @@ void FixDeform::init()
if (i == 5) set[i].tilt_start = domain->xy; if (i == 5) set[i].tilt_start = domain->xy;
else if (i == 4) set[i].tilt_start = domain->xz; else if (i == 4) set[i].tilt_start = domain->xz;
else if (i == 3) set[i].tilt_start = domain->yz; else if (i == 3) set[i].tilt_start = domain->yz;
set[i].vol_start = domain->xprd * domain->yprd * domain->zprd; } else set[i].tilt_start = set[i].tilt_initial;
} else {
set[i].tilt_start = set[i].tilt_initial;
set[i].vol_start = set[i].vol_initial;
}
if (set[i].style == FINAL) { if (set[i].style == FINAL) {
set[i].tilt_stop = set[i].ftilt; set[i].tilt_stop = set[i].ftilt;
@ -535,6 +533,7 @@ void FixDeform::end_of_step()
if (set[i].style != VOLUME) continue; if (set[i].style != VOLUME) continue;
if (set[i].substyle == ONE_FROM_ONE) { if (set[i].substyle == ONE_FROM_ONE) {
if (i == 1)
set[i].lo_target = 0.5*(set[i].lo_start+set[i].hi_start) - set[i].lo_target = 0.5*(set[i].lo_start+set[i].hi_start) -
0.5*(set[i].vol_start / 0.5*(set[i].vol_start /
(set[set[i].dynamic1].hi_target - (set[set[i].dynamic1].hi_target -