friendzone.nwx2molssi.basis_set_conversions
===========================================

.. py:module:: friendzone.nwx2molssi.basis_set_conversions


Functions
---------

.. autoapisummary::

   friendzone.nwx2molssi.basis_set_conversions.qc_basis2ao_basis_set


Module Contents
---------------

.. py:function:: qc_basis2ao_basis_set(qc_mol, qc_basis)

   Converts a QCElemental inline BasisSet into a Chemist AOBasisSetD.

   :param qc_mol: The molecule the basis set is defined for. Used to map
                  each atom to its center data (via ``qc_basis.atom_map``)
                  and to its Cartesian coordinates.
   :type qc_mol: qcelemental.models.v2.Molecule
   :param qc_basis: The inline basis set description to convert. A basis
                    set specified only by name (a bare string) is not
                    supported by this function; resolve it to an inline
                    ``qcelemental.models.v2.BasisSet`` first (e.g. via a
                    basis-set library) before calling this function.
   :type qc_basis: qcelemental.models.v2.BasisSet

   :return: The Chemist representation of ``qc_basis``.
   :rtype: chemist.basis_set.AOBasisSetD