diff --git a/tools/msi2lmp/test/in.PyAC_bulk-clayff b/tools/msi2lmp/test/in.PyAC_bulk-clayff index 1c6663a679..923891b920 100644 --- a/tools/msi2lmp/test/in.PyAC_bulk-clayff +++ b/tools/msi2lmp/test/in.PyAC_bulk-clayff @@ -5,9 +5,9 @@ atom_style full pair_style lj/cut/coul/long 15.0 pair_modify mix geometric bond_style harmonic -kspace_style pppm 1.0e-5 read_data PyAC_bulk-clayff.data +kspace_style pppm 1.0e-5 thermo_style multi minimize 0.0 0.0 100 1000