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Towards v1.0 #77

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5 of 10 tasks
srmnitc opened this issue Apr 11, 2024 · 1 comment
Open
5 of 10 tasks

Towards v1.0 #77

srmnitc opened this issue Apr 11, 2024 · 1 comment
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enhancement New feature or request

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@srmnitc
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srmnitc commented Apr 11, 2024 •
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Features

  • Add substitutional defects (Add substitutional impurity #78 )
  • Add interstitial defects (Add interstitial #79 )
  • Wrapper for dislocations using atomman
  • Reach test coverage
  • Add ASE bulk as a direct option for structure creation
  • Add API docs
  • Add type hinting
  • lint with black
  • Add example notebooks
  • maybe add hashing with position, other atom attributes, and cell.
@srmnitc
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srmnitc commented Apr 11, 2024

@aazocar feel free to add more items as needed

@srmnitc srmnitc added the enhancement New feature or request label Jul 11, 2024
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