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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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14
src/kspace.cpp
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@ -40,7 +40,7 @@ void KSpace::modify_params(int narg, char **arg)
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"mesh") == 0) {
if (iarg+4 > narg) error->all("Illegal kspace_modify command");
if (iarg+4 > narg) error->all(FLERR,"Illegal kspace_modify command");
nx_pppm = atoi(arg[iarg+1]);
ny_pppm = atoi(arg[iarg+2]);
nz_pppm = atoi(arg[iarg+3]);
@ -48,26 +48,26 @@ void KSpace::modify_params(int narg, char **arg)
else gridflag = 1;
iarg += 4;
} else if (strcmp(arg[iarg],"order") == 0) {
if (iarg+2 > narg) error->all("Illegal kspace_modify command");
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
order = atoi(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"gewald") == 0) {
if (iarg+2 > narg) error->all("Illegal kspace_modify command");
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
g_ewald = atof(arg[iarg+1]);
if (g_ewald == 0.0) gewaldflag = 0;
else gewaldflag = 1;
iarg += 2;
} else if (strcmp(arg[iarg],"slab") == 0) {
if (iarg+2 > narg) error->all("Illegal kspace_modify command");
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
slab_volfactor = atof(arg[iarg+1]);
iarg += 2;
if (slab_volfactor <= 1.0)
error->all("Bad kspace_modify slab parameter");
error->all(FLERR,"Bad kspace_modify slab parameter");
if (slab_volfactor < 2.0 && comm->me == 0)
error->warning("Kspace_modify slab param < 2.0 may "
error->warning(FLERR,"Kspace_modify slab param < 2.0 may "
"cause unphysical behavior");
slabflag = 1;
} else error->all("Illegal kspace_modify command");
} else error->all(FLERR,"Illegal kspace_modify command");
}
}