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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
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@ -57,7 +57,7 @@ gf_struct = SK.gf_struct_solver[0]
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Umat, Upmat = U_matrix_kanamori(n_orb=n_orb, U_int=U, J_hund=J)
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# Construct Hamiltonian and solver
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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")
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S = Solver(beta=beta, gf_struct=gf_struct)
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S = Solver(beta=beta, gf_struct=list(gf_struct))
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if previous_present:
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chemical_potential = 0
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@ -104,7 +104,7 @@ Kanamori definitions of :math:`U` and :math:`J`.
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Next, we construct the Hamiltonian and the solver::
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h_int = h_int_density(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U=Umat, Uprime=Upmat)
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S = Solver(beta=beta, gf_struct=gf_struct)
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S = Solver(beta=beta, gf_struct=list(gf_struct))
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As you see, we take only density-density interactions into
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account. Other Hamiltonians with, e.g. with full rotational invariant interactions are:
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@ -65,7 +65,7 @@ Umat, Upmat = U_matrix_kanamori(n_orb=n_orb, U_int=U, J_hund=J)
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# Construct density-density Hamiltonian and solver
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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")
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S = Solver(beta=beta, gf_struct=gf_struct)
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S = Solver(beta=beta, gf_struct=list(gf_struct))
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if previous_present:
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chemical_potential = 0
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@ -66,7 +66,7 @@ Umat = U_matrix(n_orb=n_orb, U_int=U, J_hund=J, basis='cubic',)
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# Construct Hamiltonian and solver
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h_int = h_int_slater(spin_names, orb_names, map_operator_structure=SK.sumk_to_solver[0], U_matrix=Umat)
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S = Solver(beta=beta, gf_struct=gf_struct)
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S = Solver(beta=beta, gf_struct=list(gf_struct))
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if previous_present:
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chemical_potential = 0
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@ -40,8 +40,8 @@ orb_names = ['%s'%i for i in range(num_orbitals)]
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orb_hybridized = False
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gf_struct = set_operator_structure(spin_names,orb_names,orb_hybridized)
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glist = [ GfImFreq(indices=inner,beta=beta) for block,inner in gf_struct.iteritems()]
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Sigma_iw = BlockGf(name_list = gf_struct.keys(), block_list = glist, make_copies = False)
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glist = [ GfImFreq(indices=inner,beta=beta) for block,inner in gf_struct]
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Sigma_iw = BlockGf(name_list = [block for block,inner in gf_struct], block_list = glist, make_copies = False)
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SK.set_Sigma([Sigma_iw])
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Gloc = SK.extract_G_loc()
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