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Version 3.3.0
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@the-hampel the-hampel released this 27 May 14:59
· 35 commits to 3.2.x since this release
3.3.0
98c5d09

solid_dmft 3.3.0 is a major release, compatible with TRIQS 3.3, updated to the latest app4triqs skeleton, and bringing major changes to the code:

  • the input parser is switched to a general toml parser, i.e. strings have to be passed in quotes, boolean parameters given without capitalization, and lists passed with brackets. Check below separate section for detailed changes.
  • the new input parser allows to define for each impurity problem a different solver if wanted, i.e. d-shell with cthyb and p-shell with Hartree-Fock. See new text NiO-cthyb
  • docker images are automatically build on each push for all major releases to ghcr.io
  • switch from old ctseg to new ctseg_j solver
  • allow CRM Dyson solver for both cthyb and ctseg to obtain Sigma_imp
    from G_tau: "crm_dyson_solver=true" and dlr_wmax and dlr_eps (see https://triqs.github.io/triqs/unstable/documentation/python_api/triqs.gf.dlr_crm_dyson_solver.html#module-triqs.gf.dlr_crm_dyson_solver for details)
  • add new DC schemes 'crpa_static', 'crpa_static_qp', 'crpa_dynamic'
  • use cRPA calculated Uijkl as interaction via 'crpa',
    'crpa_density_density', 'dyn_density_density', 'dyn_full' hint types
  • read interaction tensor from AIMBES h5
  • new experimental gw_embedding module. See gw_embedding/gw_flow.py for details allowing to run solid_dmft on top of AIMBES
  • allow to use Pade for AC in post-processing

We thank all contributors: Sophie Beck, Thomas Hahn, Alexander Hampel, Henri Menke, Maximilian Merkel, and Nils Wentzell

A detailed list of changes is provided in the ChangeLog.

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