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Fix TrajectoryObserver.to_ase_trajectory return type #852

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merged 5 commits into from
May 14, 2024

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@janosh janosh commented May 14, 2024

TrajectoryObserver.to_ase_trajectory does not return ase.io.Trajectory (as prev annotated) which (confusingly) is a function but an ase.io.trajectory.TrajectoryReader instance

@janosh janosh added fix Bug fix PR types Type all the things labels May 14, 2024
@janosh janosh enabled auto-merge (squash) May 14, 2024 18:45
@janosh janosh merged commit 832fdbe into main May 14, 2024
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@janosh janosh deleted the fix-to_ase_trajectory-ret-type branch May 14, 2024 19:01
hrushikesh-s pushed a commit to hrushikesh-s/atomate2 that referenced this pull request Jun 28, 2024
…ect#852)

* fix TrajectoryObserver.to_ase_trajectory() return type to TrajectoryReader

* more descriptive variable names

* fix typo

* fix clashing var rename

* rename d->dct
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