fix: ignore numpy warning

deepmodeling · Feb 15, 2024 · 0e1182e · 0e1182e
1 parent e122700
commit 0e1182e
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/deepmd/dpmodel/atomic_model/linear_atomic_model.py b/deepmd/dpmodel/atomic_model/linear_atomic_model.py
@@ -320,14 +320,16 @@ def _compute_weight(
             ),
             axis=-1,
         )  # handle masked nnei.
-        sigma = numerator / denominator
+        with np.errstate(divide="ignore", invalid="ignore"):
+            sigma = numerator / denominator
         u = (sigma - self.sw_rmin) / (self.sw_rmax - self.sw_rmin)
         coef = np.zeros_like(u)
         left_mask = sigma < self.sw_rmin
         mid_mask = (self.sw_rmin <= sigma) & (sigma < self.sw_rmax)
         right_mask = sigma >= self.sw_rmax
         coef[left_mask] = 1
-        smooth = -6 * u**5 + 15 * u**4 - 10 * u**3 + 1
+        with np.errstate(invalid="ignore"):
+            smooth = -6 * u**5 + 15 * u**4 - 10 * u**3 + 1
         coef[mid_mask] = smooth[mid_mask]
         coef[right_mask] = 0
         self.zbl_weight = coef