I’m currently working on a package that makes dealing with various inputs and outputs of DFT calculations easier.
Since the workflow of most people doing these calculations on a daily basis involve a number of default settings/inputs that they mostly use, I would also like to implement some way of saving these in some kind of user specific config file/ defaults file. An example of one of those defaults would be a dictionary with pseudopotentials for each element, so that people don’t need to manually find the directory and name of the respective pseudopotentials each time.
Now, implementing this is kind of trivial, I’m mostly wondering what the best/recommended way of handling this storage is. Do I generate a user_defaults folder inside of the package directory when someone installs it? Do I generate such a folder in a designated .xxx folder inside their home directory?