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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-22 16:59:17 +00:00
parent 988a4479e8
commit cea0208207
42 changed files with 245 additions and 194 deletions
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14
src/fix_deform.cpp
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@ -162,20 +162,24 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
if (set[5].style && (domain->xperiodic == 0 || domain->yperiodic == 0))
error->all("Cannot fix deform on a non-periodic boundary");
// setup scaling
// apply scaling to FINAL,DELTA,VEL since they have distance/vel units
if (scaleflag && domain->lattice == NULL)
int flag = 0;
for (int i = 0; i < 6; i++)
if (set[i].style == FINAL || set[i].style == DELTA ||
set[i].style == VEL) flag = 1;
if (flag && scaleflag && domain->lattice == NULL)
error->all("Use of fix deform with undefined lattice");
if (scaleflag) {
if (flag && scaleflag) {
xscale = domain->lattice->xlattice;
yscale = domain->lattice->ylattice;
zscale = domain->lattice->zlattice;
}
else xscale = yscale = zscale = 1.0;
// apply scaling to input parameters with dist/vel units
// for 3,4,5 scale 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;