default_optimizer: str
convergence_criterion: float
max_steps: int

@property
atoms(self): 

@property
coords(self): 

@property
charges(self): 

@classmethod
from_coords(cls, atoms, coords, charge=None, spin=None, info=None, calculator=None, **etc): 

@classmethod
from_mol(cls, mol, coord_unit='Angstroms', calculator=None): 

calculate_props(self, props, geoms=None, calc=None, extra_calcs=None): 

calculate_energy(self, geoms=None, order=None, calc=None, hessian_func_attr='get_hessian'): 

resolve_optimizer(self, method): 

optimize_structure(self, geoms=None, calc=None, quiet=True, logfile=None, fmax=None, steps=None, method=None, **opts):