diff --git a/unittest/force-styles/tests/manybody-pair-snap.yaml b/unittest/force-styles/tests/manybody-pair-snap.yaml index 139d1b94d0..57e0e9d599 100644 --- a/unittest/force-styles/tests/manybody-pair-snap.yaml +++ b/unittest/force-styles/tests/manybody-pair-snap.yaml @@ -14,7 +14,8 @@ pair_style: hybrid/overlay zbl 4.0 4.8 snap pair_coeff: ! | 1*8 1*8 zbl 73 73 * * snap Ta06A.snapcoeff Ta06A.snapparam Ta Ta Ta Ta Ta Ta Ta Ta -extract: ! "" +extract: ! | + scale 2 natoms: 64 init_vdwl: -473.569864629026 init_coul: 0 diff --git a/unittest/force-styles/tests/manybody-pair-snap_chem.yaml b/unittest/force-styles/tests/manybody-pair-snap_chem.yaml index 39d2abd804..b97709863e 100644 --- a/unittest/force-styles/tests/manybody-pair-snap_chem.yaml +++ b/unittest/force-styles/tests/manybody-pair-snap_chem.yaml @@ -16,7 +16,8 @@ pair_coeff: ! | 1*4 5*8 zbl 49 15 5*8 5*8 zbl 15 15 * * snap InP_JCPA2020.snapcoeff InP_JCPA2020.snapparam In In In In P P P P -extract: ! "" +extract: ! | + scale 2 natoms: 64 init_vdwl: -185.3871232982 init_coul: 0