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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@149 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2006-11-13 22:17:52 +00:00
parent 458ec376dd
commit ecaf8734e1
13 changed files with 164 additions and 478 deletions
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10
src/fix_recenter.cpp
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@ -21,6 +21,7 @@
#include "atom.h"
#include "group.h"
#include "domain.h"
#include "lattice.h"
#include "modify.h"
#include "comm.h"
#include "error.h"
@ -68,11 +69,14 @@ FixRecenter::FixRecenter(int narg, char **arg) : Fix(narg, arg)
// scale xcom,ycom,zcom
if (scaleflag == 1 && domain->lattice == NULL)
error->all("Use of fix recenter with undefined lattice");
double xscale,yscale,zscale;
if (scaleflag == 1) {
xscale = domain->xlattice;
yscale = domain->ylattice;
zscale = domain->zlattice;
xscale = domain->lattice->xlattice;
yscale = domain->lattice->ylattice;
zscale = domain->lattice->zlattice;
}
else xscale = yscale = zscale = 1.0;