Fix #89 Adjustments after recent triqs/cthyb gf_struct typechange

-Adjust gf_struct keyword argument of CTHyb from dict : str -> indices
to list of pairs: [ [str, indices], ... ] in accordance with
recent cthyb/triqs changes

-Fix set_operator_structure in srvo3_Gloc.py test accordingly

-TODO: Adjust gf_struct appearences throughout dft_tools accordingly

dft_dmft_cthyb.py

@@ -57,7 +57,7 @@ gf_struct = SK.gf_struct_solver[0]
 Umat, Upmat = U_matrix_kanamori(n_orb=n_orb, U_int=U, J_hund=J)
 # Construct Hamiltonian and solver
 h_int = h_int_density(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U=Umat, Uprime=Upmat, H_dump="H.txt")
-S = Solver(beta=beta, gf_struct=gf_struct)
+S = Solver(beta=beta, gf_struct=list(gf_struct))
 
 if previous_present:
   chemical_potential = 0

doc/guide/SrVO3.rst

@@ -104,7 +104,7 @@ Kanamori definitions of :math:`U` and :math:`J`.
 Next, we construct the Hamiltonian and the solver::
   
   h_int = h_int_density(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U=Umat, Uprime=Upmat)
-  S = Solver(beta=beta, gf_struct=gf_struct)
+  S = Solver(beta=beta, gf_struct=list(gf_struct))
 
 As you see, we take only density-density interactions into
 account. Other Hamiltonians with, e.g. with full rotational invariant interactions are:

doc/guide/images_scripts/dft_dmft_cthyb.py

@@ -65,7 +65,7 @@ Umat, Upmat = U_matrix_kanamori(n_orb=n_orb, U_int=U, J_hund=J)
 
 # Construct density-density Hamiltonian and solver
 h_int = h_int_density(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U=Umat, Uprime=Upmat, H_dump="H.txt")
-S = Solver(beta=beta, gf_struct=gf_struct)
+S = Solver(beta=beta, gf_struct=list(gf_struct))
 
 if previous_present:
   chemical_potential = 0

doc/guide/images_scripts/dft_dmft_cthyb_slater.py

@@ -66,7 +66,7 @@ Umat = U_matrix(n_orb=n_orb, U_int=U, J_hund=J, basis='cubic',)
 
 # Construct Hamiltonian and solver
 h_int = h_int_slater(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U_matrix=Umat)
-S = Solver(beta=beta, gf_struct=gf_struct)
+S = Solver(beta=beta, gf_struct=list(gf_struct))
 
 if previous_present:
   chemical_potential = 0

test/srvo3_Gloc.py

@@ -40,8 +40,8 @@ orb_names = ['%s'%i for i in range(num_orbitals)]
 orb_hybridized = False
 
 gf_struct = set_operator_structure(spin_names,orb_names,orb_hybridized)
-glist = [ GfImFreq(indices=inner,beta=beta) for block,inner in gf_struct.iteritems()]
-Sigma_iw = BlockGf(name_list = gf_struct.keys(), block_list = glist, make_copies = False)
+glist = [ GfImFreq(indices=inner,beta=beta) for block,inner in gf_struct]
+Sigma_iw = BlockGf(name_list = [block for block,inner in gf_struct], block_list = glist, make_copies = False)
 
 SK.set_Sigma([Sigma_iw])
 Gloc = SK.extract_G_loc()