diff --git a/doc/funcs/2_bath.rst b/doc/funcs/2_bath.rst index 0960937e..09063c38 100644 --- a/doc/funcs/2_bath.rst +++ b/doc/funcs/2_bath.rst @@ -115,28 +115,7 @@ These functions manipulate the user-accessible bath array :return: a number which is the dimension of the bath array for each impurity. :rtype: int - - -.. function:: set_hreplica(hvec,lambdavec) - - This function is specific to :code:`BATH_TYPE=REPLICA`. It sets the basis of matrices and scalar parameters that, upon linear combination, make up the bath replica. - - :type hvec: np.array(dtype=complex) - :param hvec: array of bath matrices. They decompose the nonzero part of the replica in a set. Each element of the set correspond to a variational parameter. That way the bath replica matrix is updated while preserving symmetries of the user's choosing. The array can have the following shapes: - - * :code:`[(Nnambu)*ed.Nspin*ed.Norb, (Nnambu)*ed.Nspin*ed.Norb, Nsym]`: 3-dimensional, where Nnambu refers to the superconducting case and Nsym is the number of matrices that make up the linear combination - * :code:`[(Nnambu)*ed.Nspin*, (Nnambu)*ed.Nspin, ed.Norb, ed.Norb, Nsym]`:5-dimensional, where Nnambu refers to the superconducting case and Nsym is the number of matrices that make up the linear combination - :type lambdavec: np.array(dtype=float) - :param iorb: the array of coefficients of the linear combination. This, along with the hybridizations V, are the fitting parameters of the bath. The array has the following shape - * :code:`[ed.Nbath, Nsym]`: for single-impurity DMFT, 2-dimensional, where Nsym is the number of matrices that make up the linear combination - * :code:`[Nlat, ed.Nbath, Nsym]`: for real-space DMFT, 3-dimensional, where Nlat is the number of inequivalent impurity sites and Nsym is the number of matrices that make up the linear combination - - :raise ValueError: if the shapes of the arrays are inconsistent - - :return: Nothing - :rtype: None - .. function:: orb_equality_bath(bath, indx, save=True) @@ -203,7 +182,7 @@ These functions manipulate the user-accessible bath array :return: Nothing :rtype: None - + .. function:: set_hgeneral(hvec,lambdavec) @@ -225,6 +204,27 @@ These functions manipulate the user-accessible bath array :return: Nothing :rtype: None + +.. function:: set_hreplica(hvec,lambdavec) + + This function is specific to :code:`BATH_TYPE=REPLICA`. It sets the basis of matrices and scalar parameters that, upon linear combination, make up the bath replica. + + :type hvec: np.array(dtype=complex) + :param hvec: array of bath matrices. They decompose the nonzero part of the replica in a set. Each element of the set correspond to a variational parameter. That way the bath replica matrix is updated while preserving symmetries of the user's choosing. The array can have the following shapes: + + * :code:`[(Nnambu)*ed.Nspin*ed.Norb, (Nnambu)*ed.Nspin*ed.Norb, Nsym]`: 3-dimensional, where Nnambu refers to the superconducting case and Nsym is the number of matrices that make up the linear combination + * :code:`[(Nnambu)*ed.Nspin*, (Nnambu)*ed.Nspin, ed.Norb, ed.Norb, Nsym]`:5-dimensional, where Nnambu refers to the superconducting case and Nsym is the number of matrices that make up the linear combination + + :type lambdavec: np.array(dtype=float) + :param iorb: the array of coefficients of the linear combination. This, along with the hybridizations V, are the fitting parameters of the bath. The array has the following shape + * :code:`[ed.Nbath, Nsym]`: for single-impurity DMFT, 2-dimensional, where Nsym is the number of matrices that make up the linear combination + * :code:`[Nlat, ed.Nbath, Nsym]`: for real-space DMFT, 3-dimensional, where Nlat is the number of inequivalent impurity sites and Nsym is the number of matrices that make up the linear combination + + :raise ValueError: if the shapes of the arrays are inconsistent + + :return: Nothing + :rtype: None + .. function:: spin_symmetrize_bath(bath, save=True)