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New Lithium Carbonate Structure Missing from Examples tab #621

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PNOGillespie opened this issue Feb 14, 2024 · 1 comment · Fixed by #622
Closed

New Lithium Carbonate Structure Missing from Examples tab #621

PNOGillespie opened this issue Feb 14, 2024 · 1 comment · Fixed by #622
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bug Something isn't working

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@PNOGillespie
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Describe the bug
A structure for lithium carbonate (Li2CO3) was added to the example structures in the PR for XAS documentation (#614) and is used in the documentation, however the entry in src/aiidalab-qe/app/structure/__init__.py is missing:

Examples = [
    ("Silicon (diamond)", file_path / "examples" / "Si.xyz"),
    ("Silicon oxide", file_path / "examples" / "SiO2.xyz"),
    ("Diamond", file_path / "examples" / "diamond.cif"),
    ("Gallium arsenide", file_path / "examples" / "GaAs.xyz"),
    ("Gold (fcc)", file_path / "examples" / "Au.cif"),
    ("Cobalt (hcp)", file_path / "examples" / "Co.cif"),
]

As a result, the structure isn't loadable from the From examples tab.
Version (if known)

  • App version: [e.g. v24.04.0a2]
@PNOGillespie PNOGillespie added the bug Something isn't working label Feb 14, 2024
@PNOGillespie
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@superstar54, I'll add a PR for this shortly

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