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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-10-12 19:45:06 +00:00
parent 08a691bfed
commit fe2278f1b7
5 changed files with 23 additions and 11 deletions
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13
src/kspace.cpp
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@ -39,6 +39,8 @@ KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
order = 5;
gridflag = 0;
gewaldflag = 0;
minorder = 2;
overlap_allowed = 1;
order_6 = 5;
gridflag_6 = 0;
@ -315,6 +317,17 @@ void KSpace::modify_params(int narg, char **arg)
} else if (strcmp(arg[iarg],"order/disp") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
order_6 = atoi(arg[iarg+1]);
} else if (strcmp(arg[iarg],"minorder") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
minorder = atoi(arg[iarg+1]);
if (minorder < 2) error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"overlap") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) overlap_allowed = 1;
else if (strcmp(arg[iarg+1],"no") == 0) overlap_allowed = 0;
else error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"force") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
accuracy_absolute = atof(arg[iarg+1]);