All pull requests

Pull requests

• Fix publishing

  dependencies
  #881·ElliottKasoar opened Oct 2, 2026Collaborator·

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  2

• Add TACE-OMat24-7M and TACE-OAM-7M models

  new model
  #880·joehart2001 opened Oct 2, 2026Collaborator·8 tasks·

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  2

• Hide pinned-column shadow in PNG table exports

  bug
  #879·joehart2001 opened Oct 2, 2026Collaborator·4 of 5 tasks·

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  3

  

• Collect and distrbute output data

  #877·joehart2001 opened Oct 1, 2026Collaborator·5 tasks·

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  1

• Add MC500 benchmark

  new benchmark
  #874·joehart2001 opened Sep 30, 2026Collaborator·4 of 9 tasks·

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  12

• Add MOF phonon and bulk modulus benchmarks

  new benchmark
  #873·prathami11 opened Sep 30, 2026·9 tasks done·

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  1

  5

• feat: update mlip_audit benchmarks

  externalmlipaudit
  #871·mcarobene-id opened Sep 28, 2026Contributor·5 tasks done·

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  1

  9

• Iron benchmark update

  enhancement
  #868·ttompa opened Sep 27, 2026Contributor·

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  3

• update add benchmark docs

  documentation
  #867·joehart2001 opened Sep 26, 2026Collaborator·4 of 5 tasks·

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  3

• add coderabbit instructions yaml

  documentationenhancement
  #866·joehart2001 opened Sep 26, 2026Collaborator·4 of 5 tasks·

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  7

• Fix analysis

  enhancement
  #865·ElliottKasoar opened Sep 25, 2026Collaborator·5 tasks·

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  7

• Vc analysis

  enhancement
  #864·Marcello-Sega opened Sep 22, 2026Collaborator·8 of 9 tasks·

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  1

  3

• Accelerate split vacancy relaxations with optimised PreconLBFGS (rather than GOQN)

  enhancement
  #863·kavanase opened Sep 19, 2026·3 tasks done·

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  1

• Add option to update analysis results

  enhancement
  #861·ElliottKasoar opened Sep 17, 2026Collaborator·5 tasks done·

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  7

• Correct CRBH20 reference level of theory to PBE+D3

  #858·Quantumplations opened Sep 16, 2026Contributor·4 of 5 tasks·

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  1

  1

• Add carbon benchmarking from GAP-20 paper (Part 1)

  new benchmark
  #855·patrickwrowe opened Sep 14, 2026·

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  24

• Add elemental cohesive energy benchmark

  new benchmark
  #854·Quantumplations opened Sep 14, 2026Contributor·8 of 9 tasks·

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  1

• feat: add NVE energy conservation benchmark

  externalmlipauditnew benchmark
  #852·lwalew opened Sep 11, 2026Contributor·9 tasks done·

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  1

  12

• Add test citations and credits to app

  documentation
  #842·joehart2001 opened Sep 7, 2026Collaborator·5 tasks done·

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  1

• Add translational symmetry benchmark

  new benchmark
  #831·ellalbolland opened Aug 25, 2026Contributor·9 tasks done·

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  1

  11

• Add YBCO lattice-parameters-vs-oxygen benchmark

  new benchmark
  #827·nicdieugenio opened Aug 20, 2026·9 tasks done·

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  4

• Add ybco defect benchmark

  new benchmark
  #825·nicdieugenio opened Aug 20, 2026·9 tasks done·

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  3

• Show Periodic Table for Oxygen Adsorption Benchmark

  enhancement
  #824·ThomasWarford opened Aug 19, 2026Contributor·4 of 5 tasks·

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  1

• Frontend part 2: cards, collapsible benchmarks and callback fixes (stacked on #820)

  enhancement
  #821·DhruvSkyy opened Aug 19, 2026Contributor·5 tasks done·

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  1

• Add MD benchmark: aluminosilicates densities

  new benchmark
  #819·matildebenassi opened Aug 18, 2026·9 tasks done·

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  5