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Green's Functions - #13

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CarlosMejZ wants to merge 41 commits into

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feature/gf

Open

Green's Functions#13
CarlosMejZ wants to merge 41 commits into
masterfrom
feature/gf

Commits on Jun 2, 2023
- Added GF functionalities. TODO: Fix the outputs to console, polish the doxygen docu.
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- Filling in the doxygen docu for the GF-relevant routines.
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- Committing license headers
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- Merge branch 'master' into feature/gf
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- Remove extra omp.h inclusion
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- Merge branch 'master' into feature/gf
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Commits on Jun 5, 2023
- Applied review comments from pull request, started reformulating the Band Lanczos routines to use matrices which are guaranteed contiguous in memory.
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Commits on Jun 7, 2023
- Added Hubbard Hamiltonian generator + UT
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- Committing license headers
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Commits on Jun 13, 2023
- Add PBC
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- Merge branch 'master' into feature/model
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- Merge branch 'master' into feature/gf
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  414fdd1
Commits on Jun 15, 2023
- Implemented suggestions for GF routines. Most importantly, vectorized all matrices to avoid using vector<vector> data types.
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Commits on Jun 21, 2023
- Cleaned GF routines from omp pragmas, only one remaining to parallelize the evaluation of G[w] for each frequency in the single band case. Removed MyInnProd header, substituted by lambdas for blas:…
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Commits on Sep 11, 2023
- BUG FIXED: Passing wrong vector length to Band Lanczos. Also, included core space determinants into the ASCI ranking (to allow for them to be substituted).
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Commits on Sep 19, 2023
- Included new HamiltonianGenerator, particularly efficient for impurity models. Test case added.
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Commits on Sep 20, 2023
- Merged with feature/model, to get the single-double Hamiltonian Generator
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- Adding clang format changes from bot.
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Commits on Sep 22, 2023
- Added option to read in vectors of ints and bools from input file, to be used in GF calculation.
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Commits on Oct 5, 2023
- Fixed Bug in GF calculation: Call to band diagonalization through Lapackpp was not returning the right eigenvectors, but the eigenvectors to an intermediat tridiagonal matrix.
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Commits on Oct 9, 2023
- Added functionalities to specify GF frequency grid.
  CarlosMejZ
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Commits on Nov 6, 2023
- Updating calls to submdspan, since mdspan library changed in which namespace this is.
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Commits on Oct 28, 2024
- Added option to ask for multiple eigenstates in selected_ci_diag. Calls LOBPCG with random guess vectors
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Commits on Nov 26, 2024
- Added minor modification to make Band Lanczos computation of the GF compatible with comlpex wave functions. The normal Lanczos calculation of off-diagonal elements is not appropriate for complex wa…
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Commits on Mar 7, 2025
- Changed Fetch command for blaspp, to refer to most recent commit. Was needed to resolve some compilation issues.
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Commits on Sep 11, 2023

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Commits on Oct 5, 2023

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Commits on Mar 7, 2025