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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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28
src/fix_wall.cpp
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@ -51,7 +51,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
if ((strcmp(arg[iarg],"xlo") == 0) || (strcmp(arg[iarg],"xhi") == 0) ||
(strcmp(arg[iarg],"ylo") == 0) || (strcmp(arg[iarg],"yhi") == 0) ||
(strcmp(arg[iarg],"zlo") == 0) || (strcmp(arg[iarg],"zhi") == 0)) {
if (iarg+5 > narg) error->all("Illegal fix wall command");
if (iarg+5 > narg) error->all(FLERR,"Illegal fix wall command");
int newwall;
if (strcmp(arg[iarg],"xlo") == 0) newwall = XLO;
@ -63,7 +63,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
for (int m = 0; m < nwall; m++)
if (newwall == wallwhich[m])
error->all("Wall defined twice in fix wall command");
error->all(FLERR,"Wall defined twice in fix wall command");
wallwhich[nwall] = newwall;
if (strcmp(arg[iarg+1],"EDGE") == 0) {
@ -89,35 +89,35 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
iarg += 5;
} else if (strcmp(arg[iarg],"units") == 0) {
if (iarg+2 > narg) error->all("Illegal fix wall command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix wall command");
if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
else error->all("Illegal fix wall command");
else error->all(FLERR,"Illegal fix wall command");
iarg += 2;
} else error->all("Illegal fix wall command");
} else error->all(FLERR,"Illegal fix wall command");
}
size_vector = nwall;
// error check
if (nwall == 0) error->all("Illegal fix wall command");
if (nwall == 0) error->all(FLERR,"Illegal fix wall command");
for (int m = 0; m < nwall; m++)
if (cutoff[m] <= 0.0)
error->all("Fix wall cutoff <= 0.0");
error->all(FLERR,"Fix wall cutoff <= 0.0");
for (int m = 0; m < nwall; m++) {
if ((wallwhich[m] == XLO || wallwhich[m] == XHI) && domain->xperiodic)
error->all("Cannot use fix wall in periodic dimension");
error->all(FLERR,"Cannot use fix wall in periodic dimension");
if ((wallwhich[m] == YLO || wallwhich[m] == YHI) && domain->yperiodic)
error->all("Cannot use fix wall in periodic dimension");
error->all(FLERR,"Cannot use fix wall in periodic dimension");
if ((wallwhich[m] == ZLO || wallwhich[m] == ZHI) && domain->zperiodic)
error->all("Cannot use fix wall in periodic dimension");
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("Cannot use fix wall zlo/zhi for a 2d simulation");
error->all(FLERR,"Cannot use fix wall zlo/zhi for a 2d simulation");
// scale coord for CONSTANT walls
@ -127,7 +127,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
if (flag) {
if (scaleflag && domain->lattice == NULL)
error->all("Use of fix wall with undefined lattice");
error->all(FLERR,"Use of fix wall with undefined lattice");
double xscale,yscale,zscale;
if (scaleflag) {
@ -186,9 +186,9 @@ void FixWall::init()
if (wallstyle[m] != VARIABLE) continue;
varindex[m] = input->variable->find(varstr[m]);
if (varindex[m] < 0)
error->all("Variable name for fix wall does not exist");
error->all(FLERR,"Variable name for fix wall does not exist");
if (!input->variable->equalstyle(varindex[m]))
error->all("Variable for fix wall is invalid style");
error->all(FLERR,"Variable for fix wall is invalid style");
}
// setup coefficients