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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-03-19 19:00:18 +00:00
parent 48ce1b589e
commit d54bd651a3
38 changed files with 543 additions and 62 deletions
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7
src/kspace.cpp
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@ -65,6 +65,7 @@ KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
slab_volfactor = 1;
suffix_flag = Suffix::NONE;
adjust_cutoff_flag = 1;
scalar_pressure_flag = 0;
accuracy_absolute = -1.0;
accuracy_real_6 = -1.0;
@ -490,6 +491,12 @@ void KSpace::modify_params(int narg, char **arg)
if (splittol >= 1.0)
error->all(FLERR,"Kspace_modify eigtol must be smaller than one");
iarg += 2;
} else if (strcmp(arg[iarg],"pressure/scalar") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) scalar_pressure_flag = 1;
else if (strcmp(arg[iarg+1],"no") == 0) scalar_pressure_flag = 0;
else error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else error->all(FLERR,"Illegal kspace_modify command");
}
}