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Get atoms from Traj didn't return row_vector_cell to atoms object.#555

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CompRhys merged 3 commits intomainfrom
traj-cell-atoms-fix
May 2, 2026
Merged

Get atoms from Traj didn't return row_vector_cell to atoms object.#555
CompRhys merged 3 commits intomainfrom
traj-cell-atoms-fix

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@CompRhys CompRhys commented May 2, 2026

Addresses #554

@CompRhys CompRhys merged commit e987eb2 into main May 2, 2026
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@CompRhys CompRhys deleted the traj-cell-atoms-fix branch May 2, 2026 17:13
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Missing transpose of cell in TorchSimTrajectory.get_atoms() to obey ASE convention

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