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Release v1.2 wishlist #129

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13 of 29 tasks
nakib opened this issue Feb 27, 2024 · 0 comments
Open
13 of 29 tasks

Release v1.2 wishlist #129

nakib opened this issue Feb 27, 2024 · 0 comments
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enhancement New feature or request

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@nakib
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nakib commented Feb 27, 2024

  • Marti's gigantic nanostructures merge.
  • (Revert to) low RAM version of gpu offload. Caching before disk dump requires too much RAM.
  • Fix load balance issue in DOS calculator, and perhaps in other places as well.
  • Use official fortran api from spglib
  • On-the-fly W
  • On-the-fly Y
  • On-the-fly X
  • Hashtable for storing periodic table and isotope data structure for all isotope related data/calculation
  • Add more examples (perhaps in the form of tutorials).
    • 4-phonon scattering
    • superconda
    • exciting interface
    • nanostructures
    • phonon-substitution defect scattering
  • Add more tests.
  • FPMized blas and lapack options.
  • FPMized spglib option.
  • Ship dependencies in third party directory to allow building on machines without internet access.
  • Beyond Tamura ph-iso scattering. Set the better theory as default.
  • Improved documentation.
  • "Read the org" style website.
  • Add openblas option in fpm.toml. Thanks, Sebastian!
  • Update to fpm v0.8.
  • update to EPW v>=5.9s
  • add new wannier parsers (with support for EPW's use_ws flag)
  • Reproducible build with gnu guix (maybe...)
  • Remove cmake support because life is too short (maybe...)
  • Some porting of post processing steps to julia (maybe...)
  • Add superconda logo (maybe...)
@nakib nakib self-assigned this Feb 27, 2024
@nakib nakib added the enhancement New feature or request label Feb 27, 2024
@nakib nakib moved this to In progress in elphbolt Kanban Jul 3, 2024
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enhancement New feature or request
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