def init_guess_by_chkfile(mol, chkfile_name, project=True): dm = dhf.init_guess_by_chkfile(mol, chkfile_name, project) n2c = dm.shape[0] // 2 return dm[:n2c,:n2c].copy()
def init_guess_by_chkfile(mol, chkfile_name, project=None): dm = dhf.init_guess_by_chkfile(mol, chkfile_name, project) n2c = dm.shape[0] // 2 return dm[:n2c, :n2c].copy()