[feat] improved standard behavior of block struct #248
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* previously the default gf_struct_solver had keys up / down, inconsistent with the default behavior after analyse_block_structure was run: up_0 / down_0. Now the default solver structure always has the _0 in the key. * old behavior resulted in error when analyse_block_structure was called twice * fixed analyse block structure tests with new changes * to correctly use analyse_block_structure use now extract_G_loc(transform_to_solver_blocks=False) * changed density_matrix function to use directly extract_G_loc() if using_gf is selected. * print deprecation warning in density_matrix, same can be achieved via extract_G_loc and [G.density() for G in Gloc] * new function density_matrix_using_point_integration() * enforce in analyse block structure that input dm or G is list with length of n_corr_shells * correct doc string for how include_shells are given * fixed other tests accordingly * fixed small bug in initial block structure regarding length of lists
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inconsistent with the default behavior after analyse_block_structure was
run: up_0 / down_0. Now the default solver structure always has the _0
in the key.
twice
extract_G_loc(transform_to_solver_blocks=False)
using_gf is selected.
extract_G_loc and [G.density() for G in Gloc]
length of n_corr_shells