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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8925 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-10-09 15:51:01 +00:00
parent 7feb074d66
commit 9266997555
1 changed files with 19 additions and 10 deletions
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19
src/fix_wall.cpp
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@ -47,6 +47,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
nwall = 0;
int scaleflag = 1;
fldflag = 0;
int pbcflag = 1;
int iarg = 3;
while (iarg < narg) {
@ -102,18 +103,29 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg+1],"yes") == 0) fldflag = 1;
else error->all(FLERR,"Illegal fix wall command");
iarg += 2;
} else if (strcmp(arg[iarg],"pbc") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix wall command");
if (strcmp(arg[iarg+1],"yes") == 0) pbcflag = 1;
else if (strcmp(arg[iarg+1],"no") == 0) pbcflag = 0;
else error->all(FLERR,"Illegal fix wall command");
iarg += 2;
} else error->all(FLERR,"Illegal fix wall command");
}
size_vector = nwall;
// error check
// error checks
if (nwall == 0) error->all(FLERR,"Illegal fix wall command");
for (int m = 0; m < nwall; m++)
if (cutoff[m] <= 0.0)
error->all(FLERR,"Fix wall cutoff <= 0.0");
for (int m = 0; m < nwall; m++)
if ((wallwhich[m] == ZLO || wallwhich[m] == ZHI) && domain->dimension == 2)
error->all(FLERR,"Cannot use fix wall zlo/zhi for a 2d simulation");
if (pbcflag) {
for (int m = 0; m < nwall; m++) {
if ((wallwhich[m] == XLO || wallwhich[m] == XHI) && domain->xperiodic)
error->all(FLERR,"Cannot use fix wall in periodic dimension");
@ -122,10 +134,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
if ((wallwhich[m] == ZLO || wallwhich[m] == ZHI) && domain->zperiodic)
error->all(FLERR,"Cannot use fix wall in periodic dimension");
}
for (int m = 0; m < nwall; m++)
if ((wallwhich[m] == ZLO || wallwhich[m] == ZHI) && domain->dimension == 2)
error->all(FLERR,"Cannot use fix wall zlo/zhi for a 2d simulation");
}
// scale factors for CONSTANT and VARIABLE walls