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This could be replaced by `data = zntrack.from_rev(,,,)` followed by `ase.io.write(data.atoms, "file.xyz")`.
It probably doesn't matter for this one, but we could also use pre-trained models for testing this way.
One benefit would be, that this would allow running tests offline by altering the remote through a global variable:
e.g. export TEST_DATA_REMOTE=/path
I want to eventually do that in IPSuite and wanted to leave this as a suggestion her.
This would certainly be not fixed in this PR but in a further one.
It probably doesn't matter for this one, but we could also use pre-trained models for testing this way.
One benefit would be, that this would allow running tests offline by altering the
remote
through a global variable:e.g.
export TEST_DATA_REMOTE=/path
I want to eventually do that in IPSuite and wanted to leave this as a suggestion her.
This would certainly be not fixed in this PR but in a further one.
Originally posted by @PythonFZ in #200 (comment)
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