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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9453 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi
2013-02-12 17:13:48 +00:00
parent 9028c18d97
commit 817ed05528
3 changed files with 10 additions and 1 deletions
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7
src/kspace.cpp
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@ -41,6 +41,7 @@ KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
gewaldflag = 0;
minorder = 2;
overlap_allowed = 1;
fftbench = 1;
order_6 = 5;
gridflag_6 = 0;
@ -320,6 +321,12 @@ void KSpace::modify_params(int narg, char **arg)
else if (strcmp(arg[iarg+1],"no") == 0) compute_flag = 0;
else error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"fftbench") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) fftbench = 1;
else if (strcmp(arg[iarg+1],"no") == 0) fftbench = 0;
else error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"diff") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
if (strcmp(arg[iarg+1],"ad") == 0) differentiation_flag = 1;