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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5047 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-14 17:18:05 +00:00
parent c507b5f502
commit 7b516d0751
12 changed files with 68 additions and 12 deletions
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13
src/fix_wall_reflect.cpp
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@ -16,6 +16,7 @@
#include "fix_wall_reflect.h"
#include "atom.h"
#include "comm.h"
#include "update.h"
#include "modify.h"
#include "domain.h"
#include "lattice.h"
@ -132,10 +133,11 @@ FixWallReflect::FixWallReflect(LAMMPS *lmp, int narg, char **arg) :
}
}
// set time_depend if any wall positions are variable
// set time_depend and varflag if any wall positions are variable
varflag = 0;
for (int m = 0; m < nwall; m++)
if (wallstyle[m] == VARIABLE) time_depend = 1;
if (wallstyle[m] == VARIABLE) time_depend = varflag = 1;
}
/* ---------------------------------------------------------------------- */
@ -185,11 +187,16 @@ void FixWallReflect::post_integrate()
int i,dim,side;
double coord;
// coord = current position of wall
// evaluate variable if necessary, wrap with clear/add
double **x = atom->x;
double **v = atom->v;
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (varflag) modify->clearstep_compute();
for (int m = 0; m < nwall; m++) {
if (wallstyle[m] == VARIABLE)
coord = input->variable->compute_equal(varindex[m]);
@ -213,4 +220,6 @@ void FixWallReflect::post_integrate()
}
}
}
if (varflag) modify->addstep_compute(update->ntimestep + 1);
}