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

aiidaplugins / aiida-lammps

LAMMPS plugin for AiiDA

https://aiida-lammps.readthedocs.io

MIT License

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

Closed JPchico closed 4 months ago

JPchico commented 4 months ago

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

Fixes #114

JPchico commented 4 months ago

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 :smiley: