add deepmd_name for spins and mag_forces

yangtengleo · Oct 12, 2024 · c46fe3e · c46fe3e
1 parent ff2d6f5
commit c46fe3e
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/dpdata/system.py b/dpdata/system.py
@@ -95,7 +95,7 @@ class System:
         DataType(
             "coords", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), deepmd_name="coord"
         ),
-        DataType("spins", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), required=False),
+        DataType("spins", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), required=False, deepmd_name="spin"),
         DataType(
             "real_atom_types", np.ndarray, (Axis.NFRAMES, Axis.NATOMS), required=False
         ),
@@ -1216,7 +1216,7 @@ class LabeledSystem(System):
             "forces", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), deepmd_name="force"
         ),
         DataType(
-            "mag_forces", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), required=False
+            "mag_forces", np.ndarray, (Axis.NFRAMES, Axis.NATOMS, 3), required=False, deepmd_name="force_mag"
         ),
         DataType(
             "virials",