All pull requests

Pull requests

• SOF-8087: update deepmd container tag after pymatgen inclusion

  #176·pranabdas opened Nov 12, 2026Member·

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• SOF-8031: add berkeyleygw application configs

  #175·pranabdas opened Nov 7, 2026Member·

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• feature/SOF-8097 Feature: Valence Band Offset (Bulk Method) workflow (QE) and beta-cristobalite SiO2 (mp-8352) [AI-written]

  #173·VsevolodX opened Nov 4, 2026Member·

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• feature/SOF-8090-polar-vbo Feature: add Valence Band Offset for Polar Material workflow [AI-written]

  #172·VsevolodX opened Oct 27, 2026Member·

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• feature/SOF-8081 Feature: asylum-spm application and SS-PFM hysteresis loop workflow

  #166·VsevolodX opened Oct 13, 2026Member·

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• SOF-8073: matdyn reads the dispersion path in crystal coordinates

  #164·VsevolodX opened Oct 9, 2026Member·

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• SOF-8071: use host mpi for lammps + update lammps images

  #163·pranabdas opened Oct 3, 2026Member·

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• SOF-8051: instrument applications and measurement workflows (SPM, XRF, DC I-V)

  #157·VsevolodX opened Sep 8, 2026Member·

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• SOF-7923: update espresso 6.3 image with multi-arch support

  #145·pranabdas opened Aug 5, 2026Member·

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• SOF-7950: migrate pseudopotential meta properties

  #139·pranabdas opened Jul 6, 2026Member·

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  2

• update: check pyproject for links

  #135·VsevolodX opened Jun 12, 2026Member·

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• fix/cleanup

  #134·VsevolodX opened Jun 11, 2026Member·

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• Update: add LDOS

  come-back-later
  #111·VsevolodX opened Mar 12, 2026Member·

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• Feature/SOF-7777 Update: VBO with Polar materials

  come-back-later
  #100·VsevolodX opened Jan 8, 2026Member·

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  11

• Update YAML files and yamllint configuration to use double quotes

  #76·timurbazhirov with CopilotAI opened Oct 29, 2025·

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• chore: fix link tp 2dmatpedia

  #29·VsevolodX opened Mar 5, 2025Member·

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• feature/SOF 7353 - add Ni/Gr interface

  come-back-later
  #25·VsevolodX opened Jan 30, 2025Member·

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  1