fix: /Users/runner/work/chgnet/chgnet/chgnet/model/dynamics.py:297: D…

…eprecationWarning: Use FrechetCellFilter for better convergence w.r.t. cell variables.

    atoms = ase_filter(atoms)

chgnet/model/dynamics.py

@@ -10,6 +10,7 @@
 import numpy as np
 from ase import Atoms, units
 from ase.calculators.calculator import Calculator, all_changes, all_properties
+from ase.filters import FrechetCellFilter
 from ase.md.npt import NPT
 from ase.md.nptberendsen import Inhomogeneous_NPTBerendsen, NPTBerendsen
 from ase.md.nvtberendsen import NVTBerendsen
@@ -294,7 +295,7 @@ def relax(
                 cry_obs = CrystalFeasObserver(atoms)
 
             if relax_cell:
-                atoms = ase_filter(atoms)
+                atoms = FrechetCellFilter(atoms)
             optimizer: Optimizer = self.optimizer_class(atoms, **kwargs)
             optimizer.attach(obs, interval=loginterval)