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Adding additional QE.out parsing #546

Merged
merged 8 commits into from
Oct 24, 2024
Merged

Adding additional QE.out parsing #546

merged 8 commits into from
Oct 24, 2024

Commits on May 25, 2024

  1. QE out parser now also reads energy contributions

    @RandomDefaultUser
    RandomDefaultUser committed May 25, 2024
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Commits on Jun 11, 2024

  1. Also added the forces for good measure

    @RandomDefaultUser
    RandomDefaultUser committed Jun 11, 2024
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Commits on Jul 17, 2024

  1. Got rid of superfluous print statement

    @RandomDefaultUser
    RandomDefaultUser committed Jul 17, 2024
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Commits on Oct 23, 2024

  1. Fixed docstring

    @RandomDefaultUser
    RandomDefaultUser committed Oct 23, 2024
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  2. Working on a fix for the OpenPMD interface

    @RandomDefaultUser
    RandomDefaultUser committed Oct 23, 2024
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Commits on Oct 24, 2024

  1. Writing seems to work, reading not yet

    @RandomDefaultUser
    RandomDefaultUser committed Oct 24, 2024
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  2. Fixed OpenPMD interface

    @RandomDefaultUser
    RandomDefaultUser committed Oct 24, 2024
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  3. Now actually fixed the interface

    @RandomDefaultUser
    RandomDefaultUser committed Oct 24, 2024
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