mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 04:43:42 +01:00
b355173cf1
* 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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| .. | ||
| converters | ||
| __init__.py | ||
| block_structure.py | ||
| clear_h5_output.py | ||
| CMakeLists.txt | ||
| sumk_dft_tools.py | ||
| sumk_dft_transport.py | ||
| sumk_dft.py | ||
| symmetry.py | ||
| trans_basis.py | ||
| util.py | ||
| version.py.in | ||