ensure NaN stress is not written

molmod · Jul 20, 2024 · e215ceb · e215ceb
1 parent 00bf5e4
commit e215ceb
Showing 1 changed file with 6 additions and 2 deletions.
diff --git a/psiflow/geometry.py b/psiflow/geometry.py
@@ -139,8 +139,12 @@ def to_string(self) -> str:
  values_dict = {}
  for key in keys:
  value = getattr(self, key)
- if value is not None:
- values_dict[key] = value
+ if value is None:
+ continue
+ if value is np.ndarray:
+ if np.all(np.isnan(value)):
+ continue
+ values_dict[key] = value
  for key, value in self.order.items():
  values_dict["order_" + key] = value
  comment += key_val_dict_to_str(values_dict)