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