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Add energy contributions #36

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Add energy contributions #36

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Commits on Dec 9, 2023

  1. Add different energies to energies and inner-scf blocks.

    hdsassnick committed Dec 9, 2023
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  2. Adjust tests and change output format for levelparser.

    hdsassnick committed Dec 9, 2023
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Commits on Dec 11, 2023

  1. Update cp2k_output_tools/blocks/energies.py 

    Co-authored-by: Tiziano Müller <[email protected]>
    @hdsassnick @dev-zero
    hdsassnick and dev-zero authored Dec 11, 2023
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  2. Update cp2k_output_tools/blocks/energies.py 

    Co-authored-by: Tiziano Müller <[email protected]>
    @hdsassnick @dev-zero
    hdsassnick and dev-zero authored Dec 11, 2023
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  3. Update cp2k_output_tools/blocks/energies.py 

    Co-authored-by: Tiziano Müller <[email protected]>
    @hdsassnick @dev-zero
    hdsassnick and dev-zero authored Dec 11, 2023
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  4. Update cp2k_output_tools/blocks/energies.py 

    Co-authored-by: Tiziano Müller <[email protected]>
    @hdsassnick @dev-zero
    hdsassnick and dev-zero authored Dec 11, 2023
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  5. Name INNER_SCF_CONV_RE pattern back to INNER_SCF_END_RE to avoid back… 

    …wards incompatibility.
    hdsassnick committed Dec 11, 2023
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  6. Reverse nested list for spans.

    hdsassnick committed Dec 11, 2023
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