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`extend(ase.Atom)` breaks the the h5 file #117

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PythonFZ opened this issue Aug 2, 2024 · 0 comments · Fixed by #127

Member

PythonFZ commented Aug 2, 2024

When doing

io.extned(ase.Atom)
io = ...
io.extend([ase.Atoms])

it raises an error because the file exists but does not have the particles group set correctly.

PythonFZ linked a pull request

that will close this issue

support string data #127

Merged

PythonFZ closed this as completed in #127

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