update torch_admp version; minor update in dipole_charge non-pbc assertion

Author: ChiahsinChu

deepmd/pt/modifier/dipole_charge.py

@@ -139,7 +139,7 @@ def forward(
             - virial: Virial correction tensor with shape (nframes, 3, 3)
         """
         if box is None:
-            raise RuntimeWarning(
+            raise RuntimeError(
                 "dipole_charge data modifier can only be applied for periodic systems."
             )
         else:

pyproject.toml

@@ -164,11 +164,11 @@ pin_pytorch_cpu = [
   # macos x86 has been deprecated
   "torch>=2.8,<2.10; platform_machine!='x86_64' or platform_system != 'Darwin'",
   "torch; platform_machine=='x86_64' and platform_system == 'Darwin'",
-  "torch_admp @ git+https://github.com/chiahsinchu/torch-admp.git@v1.1.0a",
+  "torch_admp @ git+https://github.com/chiahsinchu/torch-admp.git@v1.1.1",
 ]
 pin_pytorch_gpu = [
   "torch>=2.7,<2.10",
-  "torch_admp @ git+https://github.com/chiahsinchu/torch-admp.git@v1.1.0a",
+  "torch_admp @ git+https://github.com/chiahsinchu/torch-admp.git@v1.1.1",
 ]
 pin_jax = [
   "jax==0.5.0;python_version>='3.10'",

source/tests/pt/modifier/test_dipole_charge.py

@@ -171,17 +171,17 @@ def test_serialize(self):
         )
 
     def test_box_none_warning(self):
-        """Test that a RuntimeWarning is raised when box is None."""
-        coord, box, atype = ref_data()
+        """Test that a RuntimeError is raised when box is None."""
+        coord, _box, atype = ref_data()
         # consistent with the input shape from BaseModifier.modify_data
         t_coord = to_torch_tensor(coord).to(DTYPE).reshape(1, -1, 3)
         t_atype = to_torch_tensor(atype).to(torch.long)
 
-        with self.assertRaises(RuntimeWarning) as context:
+        with self.assertRaises(RuntimeError) as context:
             self.dm_pt(
                 coord=t_coord,
                 atype=t_atype,
-                box=None,  # Pass None to trigger the warning
+                box=None,  # Pass None to trigger the error
             )
 
         self.assertIn(