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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3483 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-03 18:28:51 +00:00
parent f62d15de78
commit 4251fad147
9 changed files with 28 additions and 7 deletions
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5
src/fix_move.cpp
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@ -45,6 +45,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
size_peratom = 3;
peratom_freq = 1;
time_integrate = 1;
time_depend = 1;
// parse args
@ -254,6 +255,8 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
if (mask[i] & groupbit) domain->unmap(x[i],image[i],xoriginal[i]);
else xoriginal[i][0] = xoriginal[i][1] = xoriginal[i][2] = 0.0;
}
time_origin = update->ntimestep;
}
/* ---------------------------------------------------------------------- */
@ -368,7 +371,7 @@ void FixMove::initial_integrate(int vflag)
double xold[3],a[3],b[3],c[3],d[3],disp[3];
double x0dotr,dx,dy,dz;
double delta = (update->ntimestep - update->beginstep) * dt;
double delta = (update->ntimestep - time_origin) * dt;
double **x = atom->x;
double **v = atom->v;