Green's Functions - #13

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CarlosMejZ wants to merge 41 commits into

Commits on Jun 2, 2023

Added GF functionalities. TODO: Fix the outputs to console, polish the doxygen docu.
CarlosMejZ
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Filling in the doxygen docu for the GF-relevant routines.
CarlosMejZ
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Merge branch 'master' into feature/gf
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Remove extra omp.h inclusion
wavefunction91
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Merge branch 'master' into feature/gf
wavefunction91
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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.
CarlosMejZ
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Commits on Jun 7, 2023

Added Hubbard Hamiltonian generator + UT
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Commits on Jun 13, 2023

Add PBC
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Merge branch 'master' into feature/model
wavefunction91
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Merge branch 'master' into feature/gf
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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

Commits on Sep 11, 2023

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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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

Commits on Oct 9, 2023

Added functionalities to specify GF frequency grid.
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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

Commits on Mar 7, 2025

Changed Fetch command for blaspp, to refer to most recent commit. Was needed to resolve some compilation issues.
carlos mejuto zaera
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