diff --git a/emmet-core/emmet/core/vasp/validation.py b/emmet-core/emmet/core/vasp/validation.py index 5c8ded7f8c..35e88ef4f1 100644 --- a/emmet-core/emmet/core/vasp/validation.py +++ b/emmet-core/emmet/core/vasp/validation.py @@ -156,7 +156,9 @@ def from_task_doc( diff_ldau_params = { el: (input_set_hubbards.get(el, 0), input_hubbards.get(el, 0)) for el in all_elements - if input_set_hubbards.get(el) != input_hubbards.get(el) + if not np.allclose( + input_set_hubbards.get(el, 0), input_hubbards.get(el, 0) + ) } if len(diff_ldau_params) > 0: