Dear OCP Team,
I am unable to run cell relaxation with omat24 branch code (fair-chem). I am getting error Property not implemented. I am able to run normal optimization without using FrechetCellFilter.
Could you please guide me.
*from fairchem.core import OCPCalculator
from ase.optimize import FIRE # Import your optimizer of choice
from ase.filters import FrechetCellFilter # to include cell relaxations
from ase.io import read
atoms = read(“atoms.xyz”) # Read in an atoms object or create your own structure
calc = OCPCalculator(checkpoint_path=“eqV2_31M_omat_mp_salex.pt”) # Path to downloaded checkpoint
atoms.calc = calc
dyn = FIRE(FrechetCellFilter(atoms))
dyn.run(fmax=0.05)*