All pull requests

Pull requests

• Bump gpaw from 25.7.0 to 26.7.0

  dependenciespython
  #708·dependabot[bot] opened Jul 6, 2026Bot·

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• Melting: Add calculation notebook using Mishin pot

  #657·prabhath-c opened May 10, 2026Contributor·

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• Melting: Edit bisection algorithm related files

  #638·prabhath-c opened Mar 15, 2026Contributor·

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• Melting: Edit structure related functions

  #637·prabhath-c opened Mar 15, 2026Contributor·

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  3

• Melting: Edit CNA descriptor functions

  #636·prabhath-c opened Mar 15, 2026Contributor·

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• Melting: Stacked pull request

  #635·prabhath-c opened Mar 15, 2026Contributor·

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• Thermal Expansion: Store changes in cell dimensions

  #583·jan-janssen opened Nov 4, 2025Member·

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• Use semantikon annotation for units in a random number of functions

  #467·samwaseda opened May 6, 2025Member·

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• Calculate thermal conductivity with phono3py

  #450·jan-janssen opened Mar 27, 2025Member·

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  3

• ASE: Update defaults for langevin

  #206·jan-janssen opened Feb 7, 2024Member·

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• Test matgl with LAMMPS

  #203·jan-janssen opened Jan 30, 2024Member·

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• Simple output interface

  format_black
  #190·jan-janssen opened Jan 9, 2024Member·

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• Replace dataclass by abstract class

  #176·jan-janssen opened Jan 5, 2024Member·

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• Define specs

  #173·jan-janssen opened Jan 5, 2024Member·

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• Extend range in Hessian Test

  #146·jan-janssen opened Dec 17, 2023Member·

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  3

• Add interface for cp2k

  #20·jan-janssen opened Sep 8, 2023Member·

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  5