atomate2.cp2k.files

Functions for manipulating CP2K files.

Functions

cleanup_cp2k_outputs	Remove unnecessary files.
copy_cp2k_outputs	Copy CP2K output files to the current directory.
get_largest_relax_extension	Get the largest numbered relax extension of files in a directory.
write_cp2k_input_set	Write CP2K input set.

Classes

TYPE_CHECKING

bool(x) -> bool