__all__ = [ "scf", "grad", "run", "stats", "fields", "penalty", ] def __getattr__(name): from importlib import import_module if name in __all__: return import_module("." + name, __name__) raise AttributeError(f"module {__name__!r} has no attribute {name!r}") def DSCF(mol, model, xc="HF", **kwargs): """A wrap function to create NN SCF object (RDSCF or UDSCF)""" from .scf import RDSCF, UDSCF if mol.spin == 0: return RDSCF(mol, model, xc, **kwargs) else: return UDSCF(mol, model, xc, **kwargs) DeepSCF = DSCF