All pull requests

Pull requests

• Split ElectronicEigenvalues/ElectronicBandStructure into siblings with a direct-storage KPoints axis

  improvement/fix
  #512·ndaelman-hu opened Sep 30, 2026Collaborator·4 of 7 tasks·

  ·
  4

  

• Resolve SCF convergence targets against each task output

  improvement/fixWorkflow
  #510·briling opened Sep 29, 2026Collaborator·2/2·1 of 4 tasks·

  ·
  14

• Add relative slack to the bounded datatype

  improvement/fixtechnical
  #500·ndaelman-hu opened Sep 23, 2026Collaborator·4 of 11 tasks·

  ·
  1

  1

  

• Extract reusable SeeKpath path generator in KSpaceFunctionalities

  improvement/fixModelMethod
  #497·ndaelman-hu opened Sep 23, 2026Collaborator·4 of 12 tasks·

  ·
  5

  

• Emit JSONSchema bounds for bounded datatypes via json_schema_extra

  #493·ndaelman-hu opened Sep 21, 2026Collaborator·1 task done·

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  2

  

• Fix nested task construction for geometry optimization

  improvement/fixWorkflow
  #492·briling opened Sep 21, 2026Collaborator·1/2·1 of 6 tasks·

  ·
  1

  

• Add runschema → nomad-simulations schema mapping reference

  documentationgood first issue
  #476·ndaelman-hu opened Sep 9, 2026Collaborator·1 task done·

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  3

  

• Model the molecular HOMO-LUMO gap as a searchable MOGap with FrontierLevels provenance

  new featureOutputs
  #471·ndaelman-hu opened Aug 26, 2026Collaborator·3 tasks done·

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  1

  

• Add k_mesh reciprocal-space axis to ElectronicEigenvalues

  new feature
  #463·ndaelman-hu opened Aug 13, 2026Collaborator·4 of 5 tasks·

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  2

  

• Add properties to AbsorptionSpectrum class

  #450·Jajar26 opened Aug 3, 2026·

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• Phonon and EPC schema updates

  #395·kubanmar opened Jun 5, 2026Collaborator·4 of 12 tasks·

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• initial plugin metadata extraction

  #358·JFRudzinski opened Mar 19, 2026Collaborator·

  ·
  1

• Fix task creation

  #354·ladinesa opened Mar 18, 2026Collaborator·2 of 12 tasks·

  ·
  2

• Initial charge density def

  #234·ladinesa opened Aug 15, 2025Collaborator·

  ·
  1

• Clarify subsystem referencing

  improvement/fixpr:stale
  #199·ndaelman-hu opened Jul 9, 2025Collaborator·

  ·
  1

  1

• Clean electronic

  #197·ndaelman-hu opened Jul 7, 2025Collaborator·

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  1

  

• Add shape decorators

  improvement/fixpr:stale
  #194·ndaelman-hu opened May 28, 2025Collaborator·

  ·
  6

  

• Extend model system

  new featuretesting
  #58·ndaelman-hu opened Apr 28, 2024Collaborator·

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  47