Collection of python functions to work with aiida, pymatgen, VASP, LAMMPS and LOBSTER.
Designed to speed up input setup and output analysis.
The functions are organized in different subpackages: aiida_tools, pymatgen, vasp, lobster, lammps, ase, cp2k and cli.
NOTE: Some of the functions have been adapted from external sources. In these cases, the source is mentioned in the function docstring.