"""
amorphgen.pipeline.final_opt
------------------------------
Stage 7 – Final structural optimisation of the quenched amorphous structure.
Delegates to opt_cell.run() with stage_key="final_opt".
"""
from __future__ import annotations
from .opt_cell import run as _opt_run
[docs]
def run(atoms_or_file, cfg_override=None, calc=None, **kwargs):
"""
Final optimisation of the amorphous structure.
Wraps opt_cell.run() — see that function for full parameter docs.
"""
print("[Stage 7] Final optimisation (amorphous)")
return _opt_run(atoms_or_file, cfg_override=cfg_override,
calc=calc, stage_key="final_opt", **kwargs)