Comments (1)
@ikowalec if you have Sam's code please look to incorporate this here.
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Related Issues (20)
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- Hydrating/solvating a model explicitly? HOT 1
- nanoparticle construction HOT 1
- Coordination of complex adsorbates on reaction sites?
- Setting up bulk alloys and/or segregated surfaces HOT 2
- Convert old M-Dh Fortran to Python
- External examples converted to Jupyter - specifically ASE HOT 1
- Jupyter notebook specifically detailing working with TS calculations. HOT 5
- Incorporation of Summer student's code on RDF into mainline HOT 2
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- Update codebase to work with ASE v3.23 HOT 4
- Tidy code to remove depreciation warnings that appear in QA tests (Actions)
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