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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-05-15 16:51:23 +00:00
parent 1bdd915a90
commit 6106843d57
13 changed files with 58 additions and 8 deletions
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10
src/KSPACE/pppm.cpp
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@ -385,6 +385,16 @@ void PPPM::setup()
return;
}
// perform some checks to avoid illegal boundaries with read_data
if (slabflag == 0 && domain->nonperiodic > 0)
error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");
if (slabflag) {
if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
error->all(FLERR,"Incorrect boundaries with slab PPPM");
}
int i,j,k,n;
double *prd;