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Major refactoring of the codebase. #92

Merged
merged 33 commits into from
Jun 13, 2024
Merged

Major refactoring of the codebase. #92

merged 33 commits into from
Jun 13, 2024

Commits on Jun 10, 2024

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  2. added module name parameter

    Simkern committed Jun 10, 2024
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  3. add module name parameter

    Simkern committed Jun 10, 2024
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  4. Revert "successful exit only written to debug log"

    This reverts commit eee8024.
    Simkern committed Jun 10, 2024
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  5. Revert "add module name parameter"

    This reverts commit e398ec0.
    Simkern committed Jun 10, 2024
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Commits on Jun 11, 2024

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  2. Added orthonormalisation routines for vectors and bases sp/dp/csp/cdp…

    …. Routines not yet deployed to QR etc.
    Simkern committed Jun 11, 2024
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Commits on Jun 12, 2024

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  4. included EVP tests again

    Simkern committed Jun 12, 2024
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  7. fixed typo in error string

    Simkern committed Jun 12, 2024
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  8. typo

    Simkern committed Jun 12, 2024
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  10. added zero/one

    Simkern committed Jun 12, 2024
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  14. Refactoring of orthogonalization routines & deployment in QR, Arnoldi…

    …, Lanczos iterations.
    Simkern committed Jun 12, 2024
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  15. Cleanup

    Simkern committed Jun 12, 2024
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  17. fixed typo

    Simkern committed Jun 12, 2024
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  18. Homogenized code

    Simkern committed Jun 12, 2024
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  21. Added eigenvector checks for eigenvalue solvers and svd, including or…

    …thonormality checks where appropriate.
    Simkern committed Jun 12, 2024
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Commits on Jun 13, 2024

  1. Logger.f90: added logging for orthonormality check within orthonormal…

    …ize_against_basis and for double_gram_schmidt_step.
    Simkern committed Jun 13, 2024
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  2. Basekrylov.f90:

        Added double_gram_schmidt_step and deployed it with logging.
        Replaces update_hessenberg_matrix.
        Added optional orthonormality check in orthogonalize_against_basis.
        Set this check to false in all performance-critical routines in the core.
    IterativeSolvers.f90:
        Deployed double_gram_schmidt_step.
        Deployed orthonormalize_against_basis.
    Simkern committed Jun 13, 2024
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