cp2k 2023 changes its output format #507
Description
The command to find the coord key information in handling the output file of CP2K by dpdata is using if "Atom Kind Element" in ii: These words are separated by two spaces. In the 2023 version of CP2K, these three words are reduced to one space, causing dpdata to be unable to process the output files of the 2023 version of CP2K. This needs to be manually modified.