pybec.utils

utils.py Module with some helpful methods for converting between data structures.

The rest of the package often utilizes atomic data in the form of either pandas Dataframes or dictionaries with element symbols for keys. Functions in this module convert between these two representations

Functions

as_dataframe(atoms_dict[, BEC, for0, for1])	make a pandas dataframe with the combined coordinates
df_to_dicts(df)
make_sphere(r, centr, N)	Adapted from Brian Z Bentz (2020).