forte2.system.build_basis ========================= .. py:module:: forte2.system.build_basis Module Contents --------------- .. py:data:: BSE_AVAILABLE :value: True .. py:function:: build_basis(basis_assignment: str | dict, geometry, embed_normalization_into_coefficients: bool = True, decontract: bool = False) -> forte2.Basis Assemble the basis set from JSON data or Basis Set Exchange, depending on availability. :Parameters: **basis_assignment** : str or dict The basis set name or a dictionary with per-atom basis assignments. It is also possible to assign different basis sets to specific atomic indices (e.g. "O2" for the second oxygen atom). The dictionary should be in the format:: { "H": "cc-pvtz", "O2": "cc-pvqz", "default": "cc-pvdz" } where ``"default"`` is used for atoms not explicitly listed. **atoms** : list[tuple(int, list[float])] A list of tuples containing atomic numbers and coordinates. :Returns: **basis** : forte2.ints.Basis The basis set. .. !! processed by numpydoc !!