All pull requests

Pull requests

• Initial version species file reading

  #274·VonaCecilia opened Oct 28, 2026Collaborator·

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• Gaussian parser

  #271·ladinesa opened Oct 15, 2026Collaborator·

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  1

  

• Make the Crystal xc.components order deterministic

  bugelectronic parser
  #270·ndaelman-hu opened Oct 13, 2026Collaborator·4 of 6 tasks·

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  1

  

• Implement mapping parser for phonopy

  #264·ladinesa opened Oct 8, 2026Collaborator·3 tasks done·

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  34

• Remove cross-parser mapper_m_def side channel from add_mapping_annotation

  bug
  #257·ndaelman-hu opened Oct 1, 2026Collaborator·

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  19

  

• Migrate FHI-aims SCF max-iterations onto SinglePointMethod (stacked on #237)

  electronic parserenhancement
  #255·ndaelman-hu opened Sep 26, 2026Collaborator·2 tasks done·

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  1

  

• Exciting parser: initial subclass-based schema refactor

  #253·VonaCecilia opened Sep 25, 2026Collaborator·2 tasks done·

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  14

• Migrate phonopy k-path generation from ASE to SeeKpath

  bugworkflow parser
  #247·ndaelman-hu opened Sep 23, 2026Collaborator·5 of 12 tasks·

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  10

  

• Add mapping for geometry optimization workflow in Orca

  #240·briling opened Sep 17, 2026Collaborator·16 of 19 tasks·

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  32

  

• Fix FHI-aims workflow mapping annotation keys and make them declarative

  electronic parserworkflow parser
  #237·ndaelman-hu opened Sep 12, 2026Collaborator·4 of 5 tasks·

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  19

  

• [!!!DO NOT MERGE!!!] Test oasis

  #230·ladinesa opened Sep 8, 2026Collaborator·

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• Add parsed block metadata

  #216·ladinesa opened Aug 23, 2026Collaborator·

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  8

• topology and PBC populate frame 0 only in model_system

  #200·Bernadette-Mohr opened Jul 30, 2026Contributor·

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  1

• Add initial H5MD schema validator prototype

  #175·EBB2675 opened Apr 30, 2026Collaborator·

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  8

• Add CLI and GUI integration tests for all parser plugins

  #167·ndaelman-hu opened Mar 31, 2026Collaborator·24 of 28 tasks·

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• initial plugin metadata extraction

  #159·JFRudzinski opened Mar 19, 2026Collaborator·

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  6

• Lammps parser model method

  #147·Bernadette-Mohr opened Feb 12, 2026Contributor·4 of 11 tasks·

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  1

  

• Extend yambo

  #146·ladinesa opened Feb 10, 2026Collaborator·

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  19

• Refactor VASP pseudopotential parsing to use declarative mapping annotations

  #144·ndaelman-hu opened Feb 4, 2026Collaborator·4 of 7 tasks·

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  18

  

• Bump ghcr.io/devcontainers-contrib/features/ruff from 1.1.1 to 2.0.0

  dependenciesdevcontainers_package_manager
  #138·dependabot[bot] opened Jan 19, 2026Bot·

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  1

• Fix global mapping annotation contamination in parsers

  bug
  #137·ndaelman-hu opened Jan 7, 2026Collaborator·3 of 5 tasks·

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  15

  

• Construct FEATURES.yaml

  documentationenhancement
  #135·ndaelman-hu opened Dec 29, 2025Collaborator·6 tasks·

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  1

  

• remove annotations fixes

  #133·JFRudzinski opened Dec 18, 2025Collaborator·

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  1

• docs: Add parser testing strategy discussion paper

  #132·Bernadette-Mohr opened Dec 16, 2025Contributor·

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  17

  

• Mapping guide doc

  documentation
  #131·EBB2675 opened Dec 16, 2025Collaborator·

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  33