From 5641b133957140797d70e6bf123b502d014db780 Mon Sep 17 00:00:00 2001 From: "Andrew S. Rosen" Date: Wed, 20 Sep 2023 22:36:57 -0700 Subject: [PATCH] Update constraints to filters (#957) --- src/quacc/schemas/ase.py | 2 +- src/quacc/utils/calc.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/quacc/schemas/ase.py b/src/quacc/schemas/ase.py index 65549de08a..96d8be1474 100644 --- a/src/quacc/schemas/ase.py +++ b/src/quacc/schemas/ase.py @@ -6,7 +6,7 @@ import numpy as np from ase import units -from ase.constraints import Filter +from ase.filters import Filter from ase.io import read from ase.vibrations.data import VibrationsData diff --git a/src/quacc/utils/calc.py b/src/quacc/utils/calc.py index 1d5e8390c4..dbdf1609f5 100644 --- a/src/quacc/utils/calc.py +++ b/src/quacc/utils/calc.py @@ -8,7 +8,7 @@ from typing import TYPE_CHECKING import numpy as np -from ase.constraints import ExpCellFilter +from ase.filters import ExpCellFilter from ase.io import Trajectory, read from ase.optimize import FIRE from ase.vibrations import Vibrations