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Enforce the fundamental Green function properties for G0_iw and G_iw #118
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I checked the changes and it looks fine to me. |
Dear all, This is fine, in principle. But, it changes behavior of the solver and it will hide ergodicity problems in the sampling from the user. Especially since there is no warning if the sampled Gf breaks hermiticity (too much). I would vote for a more conservative approach and replace the automatic symmetrization of the sampled Gf with a small tutorial on how to symmetrize the result by hand. Cheers, Hugo |
I like that now both, the 'corrected' G_iw and the raw G_iw_raw are available to the user. |
…,i)* for G0_iw and G_iw We now enforce the fundamental Green function property `G[iw](i,j) = G[-iw](j,i)*` for both the solver-input S.G0_iw as well as the solver output S.G_iw. If the input violates the relation a warning will be issued and the input will be automatically symmetrized. The output will always be symmetrized and the symmetry violation `G[iw](i,j) - G[-iw](j,i)` is stored in S.hermiticity_violation_G_iw
Fixed a bug where G_tau is not properly symmetrizied as intended
…to the c++ implementation
…_tau -Regenerate the python bindings
@the-hampel Please review the latest changes and update the documentation as discussed. |
I added some parts in the documentation in the solve function of the solver. I hope this sits at the right spot now. Please check, otherwise I will iterate on it. The other changes look good! For me atm the test py_slater fails because |
Minor doc formattingformatting in solver.py
We now enforce the fundamental Green function property
G[iw](i,j) = G[-iw](j,i)*
for both the solver-input S.G0_iw as well as the solver output S.G_iw.
If the input violates the relation a warning will be issued and the input will
be automatically symmetrized. The output will always be symmetrized and the
symmetry violation
G[iw](i,j) - G[-iw](j,i)
is stored in S.hermiticity_violation_G_iwThis change was discussed with @parcollet @mzingl