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firstframe! and nextframe! were renamed to first_frame! and next_frame! for consistency. Legacy names were kept for compatibility and flagged to be removed in a 2.0 version.
The get_frame function does not restart the simulation always, only if the required frame is before current frame. The function now returns the simulation positioned in the desired frame.
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@JuliaRegistrator register
Release notes:
most_representative_structurenow supports a selection string for theatomskeyword (https://m3g.github.io/MolSimToolkit.jl/dev/miscelaneous/#MolSimToolkit.most_representative_structure-Tuple{Simulation}).firstframe!andnextframe!were renamed tofirst_frame!andnext_frame!for consistency. Legacy names were kept for compatibility and flagged to be removed in a 2.0 version.get_framefunction does not restart the simulation always, only if the required frame is before current frame. The function now returns the simulation positioned in the desired frame.cb90c9cThere was a problem hiding this comment.
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Registration pull request created: JuliaRegistries/General/114993
Tagging
After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.
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