diff --git a/examples/USER/scafacos/data.NaCl b/examples/USER/scafacos/data.NaCl index 1a599b957d2db149a1e69f9428e257bb1814d9c1..2d804dec9507672180ba6ce1b9b695116656cf6c 100644 --- a/examples/USER/scafacos/data.NaCl +++ b/examples/USER/scafacos/data.NaCl @@ -15,11 +15,11 @@ Atoms - 1 1 1 1.0 0.0 0.0 0.0 - 2 1 2 -1.0 1.0 0.0 0.0 - 3 1 2 -1.0 0.0 1.0 0.0 - 4 1 1 1.0 1.0 1.0 0.0 - 5 1 2 -1.0 0.0 0.0 1.0 - 6 1 1 1.0 1.0 0.0 1.0 - 7 1 1 1.0 0.0 1.0 1.0 - 8 1 2 -1.0 1.0 1.0 1.0 + 1 1 1.0 0.0 0.0 0.0 + 2 2 -1.0 1.0 0.0 0.0 + 3 2 -1.0 0.0 1.0 0.0 + 4 1 1.0 1.0 1.0 0.0 + 5 2 -1.0 0.0 0.0 1.0 + 6 1 1.0 1.0 0.0 1.0 + 7 1 1.0 0.0 1.0 1.0 + 8 2 -1.0 1.0 1.0 1.0 diff --git a/examples/USER/scafacos/in.scafacos b/examples/USER/scafacos/in.scafacos index f9b6733eef8125519c777adf57c8a2a20ee7423b..9a1f0f321ecad83ee19371db24800ea5613b75c0 100644 --- a/examples/USER/scafacos/in.scafacos +++ b/examples/USER/scafacos/in.scafacos @@ -28,7 +28,8 @@ pair_coeff * * #fix 2 all scafacos p3m tolerance field 0.001 -kspace_style scafacos p3m tolerance field 0.001 +kspace_style scafacos p3m 0.001 +kspace_style scafacos tolerance field timestep 0.005 thermo 10