diff --git a/lammps/pbc.c b/lammps/pbc.c index 0e86b97..5028c5b 100644 --- a/lammps/pbc.c +++ b/lammps/pbc.c @@ -125,7 +125,7 @@ void setupPbc(Atom *atom, Parameter *param) { if(param->pbc_x != 0 && param->pbc_y != 0 && param->pbc_z != 0) { if (x < Cutneigh && y < Cutneigh && z < Cutneigh) { ADDGHOST(+1,+1,+1); } if (x < Cutneigh && y >= (yprd-Cutneigh) && z < Cutneigh) { ADDGHOST(+1,-1,+1); } - if (x < Cutneigh && y >= Cutneigh && z >= (zprd-Cutneigh)) { ADDGHOST(+1,+1,-1); } + if (x < Cutneigh && y < Cutneigh && z >= (zprd-Cutneigh)) { ADDGHOST(+1,+1,-1); } if (x < Cutneigh && y >= (yprd-Cutneigh) && z >= (zprd-Cutneigh)) { ADDGHOST(+1,-1,-1); } if (x >= (xprd-Cutneigh) && y < Cutneigh && z < Cutneigh) { ADDGHOST(-1,+1,+1); } if (x >= (xprd-Cutneigh) && y >= (yprd-Cutneigh) && z < Cutneigh) { ADDGHOST(-1,-1,+1); }