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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-01-05 22:26:08 +00:00
parent e1f72f6d3a
commit 0cc1d090f4
90 changed files with 1129 additions and 779 deletions
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22
src/fix_wall_reflect.cpp
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@ -16,7 +16,6 @@
#include "atom.h"
#include "modify.h"
#include "domain.h"
#include "comm.h"
#include "error.h"
using namespace LAMMPS_NS;
@ -52,29 +51,14 @@ FixWallReflect::FixWallReflect(LAMMPS *lmp, int narg, char **arg) :
int FixWallReflect::setmask()
{
int mask = 0;
mask |= INITIAL_INTEGRATE;
mask |= POST_INTEGRATE;
mask |= POST_INTEGRATE_RESPA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixWallReflect::init()
{
// warn if any integrate fix comes after this one
int after = 0;
int flag = 0;
for (int i = 0; i < modify->nfix; i++) {
if (strcmp(id,modify->fix[i]->id) == 0) after = 1;
else if ((modify->fmask[i] & INITIAL_INTEGRATE) && after) flag = 1;
}
if (flag && comm->me == 0)
error->warning("Fix wall/reflect should come after all other integration fixes");
}
/* ---------------------------------------------------------------------- */
void FixWallReflect::initial_integrate(int vflag)
void FixWallReflect::post_integrate()
{
double xlo = domain->boxlo[0];
double xhi = domain->boxhi[0];