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Changing the formatting in the dump comppand so that it can handle dynamic vectors. #124

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JPchico
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@JPchico JPchico commented Apr 25, 2024

Fixing the fact that the property/atoms compute should be a vector of undefined length and not an array.

Fixes #114

…namic vectors.

Fixing the fact that the property/atoms compute should be a vector of undefined length and not an array.

Fixes aiidaplugins#114
@JPchico JPchico added the bug label Apr 25, 2024
@JPchico JPchico requested review from chrisjsewell and sphuber April 25, 2024 14:21
@JPchico JPchico self-assigned this Apr 25, 2024
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Thanks @JPchico I am not at all familiar with the technical details of LAMMPS so the value of my review may be very limited. But at least superficially the changes look fine.

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JPchico commented Apr 26, 2024

Thanks @sphuber for the review, I appreciate that you take the time. I just think that it is always good to have another pair of eyes, easy to miss things when it is only one person that looks at things 😃

@JPchico JPchico merged commit bd3d402 into aiidaplugins:develop Apr 26, 2024
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2 participants