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MOLE.jl: New Grids module - #411

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valeria/mole-jl-grids-module
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MOLE.jl: New Grids module#411
valeriabarra wants to merge 2 commits into
mainfrom
valeria/mole-jl-grids-module

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@valeriabarra

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What type of PR is this? (check all applicable)

  • Refactor
  • Feature
  • Bug Fix
  • Optimization
  • Example
  • Documentation

Description

This PR adds a Grids module for the MOLE.jl Julia implementation. This contains new functions, tests, and documentation. A follow-up PR will be created to make the Operators compatible (and retro-compatible) with the new Grid module.

Related Issues & Documents

Added/updated tests?

_We encourage you to test all code included with MOLE, including examples.

  • Yes
  • No, and this is why: please replace this line with details on why tests
    have not been included
  • I need help with writing tests

Read Contributing Guide and Code of Conduct

@valeriabarra valeriabarra self-assigned this Jul 2, 2026
@valeriabarra valeriabarra added Enhancement New feature or request MOLE.jl MOLE-2.0 Ideas and issues relating to the MOLE 2.0 development branch and or update. labels Jul 2, 2026
@codecov

codecov Bot commented Jul 2, 2026

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Codecov Report

❌ Patch coverage is 95.37037% with 10 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
julia/MOLE.jl/src/Grids/validate_grid.jl 93.71% 10 Missing ⚠️

📢 Thoughts on this report? Let us know!

@valeriabarra
valeriabarra requested a review from joehellmers July 2, 2026 21:16
@valeriabarra
valeriabarra force-pushed the valeria/mole-jl-grids-module branch from 9dcc97f to f8a2ae9 Compare July 7, 2026 16:59
@valeriabarra

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@Tony-Drummond and @joehellmers , can you still review this PR? Thank you

@valeriabarra
valeriabarra force-pushed the valeria/mole-jl-grids-module branch 2 times, most recently from 6261599 to 6da444b Compare July 22, 2026 16:30
@valeriabarra
valeriabarra force-pushed the valeria/mole-jl-grids-module branch from 6da444b to 22319dc Compare August 4, 2026 16:25
@valeriabarra

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@joehellmers , @Tony-Drummond , are you still able to review this PR?
The Julia formatter action that is failing is a fluke. Locally for me the formatter passes. Thanks

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Enhancement New feature or request MOLE.jl MOLE-2.0 Ideas and issues relating to the MOLE 2.0 development branch and or update.

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MOLE.jl: Add new Grids module

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