Issues

• Fix relativistic model mapping for Orca

  FAIRmat-NFDI/nomad-parser-plugins-simulation#262 · Filter by author briling opened on Oct 1, 2026
  

• Orca parser: thread-parallel parses intermittently yield empty archives or AttributeError

  FAIRmat-NFDI/nomad-parser-plugins-simulation#258 · Filter by author ndaelman-hu opened on Oct 1, 2026

• Failing exciting tests in CI - charge convergence criterion unit

  FAIRmat-NFDI/nomad-parser-plugins-simulation#254 · Filter by author VonaCecilia opened on Sep 25, 2026
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• exciting and VASP-OUTCAR reuse the initial cell across optimization steps

  FAIRmat-NFDI/nomad-parser-plugins-simulation#252 · Filter by author ndaelman-hu opened on Sep 25, 2026

• Wrong evaluation of the Exciting workflow result for the potential convergence criteria

  bugelectronic parser
  Bug

  FAIRmat-NFDI/nomad-parser-plugins-simulation#250 · Filter by author VonaCecilia opened on Sep 24, 2026
  

• ORCA schema: adopt the standard encapsulated-subclass annotation layout

  electronic parserenhancement
  FAIRmat-NFDI/nomad-parser-plugins-simulation#248 · Filter by author ndaelman-hu opened on Sep 23, 2026
  2

  

• Strengthen parser integration tests to verify meaningful archive population

  FAIRmat-NFDI/nomad-parser-plugins-simulation#245 · Filter by author JFRudzinski opened on Sep 19, 2026

• Investigate mapping annotation lifecycle and make mapping failures visible in tests

  FAIRmat-NFDI/nomad-parser-plugins-simulation#244 · Filter by author JFRudzinski opened on Sep 19, 2026
  

• Make parser additivity snapshot coverage fail-safe and explicit

  FAIRmat-NFDI/nomad-parser-plugins-simulation#243 · Filter by author JFRudzinski opened on Sep 19, 2026
  

• Mapping Parser Documentation

  FAIRmat-NFDI/nomad-parser-plugins-simulation#235 · Filter by author JFRudzinski opened on Sep 11, 2026

• Use only line parser for large files.

  FAIRmat-NFDI/nomad-parser-plugins-simulation#232 · Filter by author ladinesa opened on Sep 9, 2026

• Mapping report: credit transformer path arguments as mapped sources

  bug
  FAIRmat-NFDI/nomad-parser-plugins-simulation#229 · Filter by author ndaelman-hu opened on Sep 8, 2026
  

• Map ORCA geometry optimization to the archive (currently single-point only)

  good first issue
  FAIRmat-NFDI/nomad-parser-plugins-simulation#226 · Filter by author ndaelman-hu opened on Sep 3, 2026
  1

  

• Self-tests for the additive-output harness: failure-mode properties

  enhancementgood first issue
  FAIRmat-NFDI/nomad-parser-plugins-simulation#225 · Filter by author ndaelman-hu opened on Sep 3, 2026

• Derive additive-output fixtures from a single source shared with the integration tests

  enhancementgood first issue
  FAIRmat-NFDI/nomad-parser-plugins-simulation#224 · Filter by author ndaelman-hu opened on Sep 2, 2026
  2

• MD test data

  FAIRmat-NFDI/nomad-parser-plugins-simulation#213 · Filter by author JFRudzinski opened on Aug 18, 2026 · 1.0.0

• FHI-aims: electronic_band_gaps annotation has no get_band_gaps transformer (band gap never populated)

  electronic parserenhancement
  FAIRmat-NFDI/nomad-parser-plugins-simulation#206 · Filter by author ndaelman-hu opened on Aug 3, 2026
  

• Remove dos.energies_origin population from exciting parser (derived by schema)

  FAIRmat-NFDI/nomad-parser-plugins-simulation#202 · Filter by author ndaelman-hu opened on Aug 3, 2026 · 1.0.0
  

• XC mapping items needing verification (exciting 300/408, CRYSTAL LC-WPBE)

  electronic parser
  FAIRmat-NFDI/nomad-parser-plugins-simulation#201 · Filter by author ndaelman-hu opened on Jul 31, 2026

• Add default simulation workflow class to trajectory normalizer?

  FAIRmat-NFDI/nomad-parser-plugins-simulation#197 · Filter by author JFRudzinski opened on Jul 29, 2026

• Scientific review: occupation-threshold band gap derivation

  FAIRmat-NFDI/nomad-parser-plugins-simulation#194 · Filter by author ndaelman-hu opened on Jul 7, 2026

• Decide whether exciting GW runs should produce a separate entry

  FAIRmat-NFDI/nomad-parser-plugins-simulation#193 · Filter by author ndaelman-hu opened on Jul 7, 2026

• Extract a dedicated DOSCAR file parser shared with LOBSTER

  FAIRmat-NFDI/nomad-parser-plugins-simulation#192 · Filter by author ndaelman-hu opened on Jul 7, 2026

• Replace VASP XML->OUTCAR electronic-outputs backfill with a mapping-driven source merge

  FAIRmat-NFDI/nomad-parser-plugins-simulation#191 · Filter by author ndaelman-hu opened on Jul 7, 2026

• Mapping-driven population of computed electronic payloads does not reach archive.data (PWSCF fallbacks)

  FAIRmat-NFDI/nomad-parser-plugins-simulation#190 · Filter by author ndaelman-hu opened on Jul 7, 2026
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