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Add SiteCollection.to_ase_atoms() #3389

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merged 3 commits into from Oct 8, 2023
Merged

Add SiteCollection.to_ase_atoms() #3389

merged 3 commits into from Oct 8, 2023

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janosh
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@janosh janosh commented Oct 8, 2023

Closes #3385.

@janosh janosh added enhancement A new feature or improvement to an existing one io Input/output functionality ase Atomic simulation environment labels Oct 8, 2023
@janosh janosh merged commit ee20c6e into master Oct 8, 2023
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@janosh janosh deleted the struct-to-ase-atoms branch October 8, 2023 00:11
@Andrew-S-Rosen
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Thank you, @janosh!

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ase Atomic simulation environment enhancement A new feature or improvement to an existing one io Input/output functionality
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Make a structure.to_ase_atoms() method
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@janosh @Andrew-S-Rosen