Wrapping coordinates in xyz or cube files?

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Arthur France-Lanord

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Jun 2, 2021, 8:21:49 AM6/2/21
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Hi there, 

Is there a way to wrap coordinates in XYZ outputs (CP2K_INPUT / MOTION / PRINT / TRAJECTORY), or in CUBE files such as the ones produced by CP2K_INPUT / FORCE_EVAL / DFT / PRINT / E_DENSITY_CUBE? 

I can post-process these of course, but was curious to know if there was a way to achieve this at the print level. Especially for CUBE files, which I usually visualize using vesta instead of vmd. 

thanks! 
Arthur
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