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Initial lattice diffusion modules#112

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sblackburn86 wants to merge 17 commits intodev_lattice_diffusionmila-iqia/diffusion_for_multi_scale_molecular_dynamics:dev_lattice_diffusionfrom initial_lattice_diffusion_modulesmila-iqia/diffusion_for_multi_scale_molecular_dynamics:initial_lattice_diffusion_modulesCopy head branch name to clipboard

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Commits

Commits on Dec 3, 2024

• gaussian score for lattice + some refactor

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  2da630f

• replacing unit_cell with axl.L and loss parameter refactor

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  707263d

Commits on Dec 5, 2024

• experimental script

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  7ea23af

• changes to loss and related tests

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  691606f

• partial fixes for a bunch of tests - anything touching the lammps loader & generators is broken

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  592e88e

• changes to axl_diffusion_model and namespace

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  c1b58a9

• lattice noiser tests

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  2ce076f

Commits on Dec 6, 2024

• score tests

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  d24b1fa

• tests for lattice parameters to unit cell vectors mapping

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  b65eb64

• test sigma scaling function

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  72b572a

• axl model tests

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  acc069b

• forget to fix a typo

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  85d9ff6

Commits on Dec 22, 2024

• Corrected a minor import issue.

  rousseab

  committed
  9e3e741

Commits on Dec 23, 2024

• code review for lattice noiser

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  66ebca0

Commits on Dec 27, 2024

• fixing bugs captured by code review

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  a350201

• fixing bugs captured by code review part 2

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  829d5b9

• fixes to unit tests for code review

  

  Simon Blackburn

  authored and

  Simon Blackburn

  committed
  58ada22