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Adding additional QE.out parsing #546

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@RandomDefaultUser RandomDefaultUser commented Jun 11, 2024

This implements the reading of atomic forces and energy contributions for debugging purposes.

  • Add missing OpenPMD support
  • Test interfaces

@RandomDefaultUser RandomDefaultUser marked this pull request as ready for review October 23, 2024 14:27
@RandomDefaultUser RandomDefaultUser merged commit 217e785 into mala-project:develop Oct 24, 2024
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@RandomDefaultUser RandomDefaultUser deleted the more_qe_readout branch October 24, 2024 09:02
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