This package is a collection of Python Modules that are conceived for pre- and post- processing of BigDFT input and output files. Such modules are supposed to enhance the BigDFT experience by high-level approach. Also, calculators and workflows are supposed to be created and inspected with modules of the PyBigDFT package.
The documentation of this package is described in
Input file representation and usage from Python
Input Actions on the BigDFT input file
Analysis of Logfiles and Ground-state related properties
Processing of Fragment-related quantities
Calculators to be used with BigDFT package to trigger runs of the code
Organize runs and analyze output in a dataset
(Py)BigDFT Tutorial page