aiida-tools

This package contains tools that make it easier to create calculations and workflows with AiiDA.

Installation

You can install this tool with with pip:

pip install aiida-tools

Reference

This module contains general helper functions to aid in developing AiiDA calculations and workchains.

aiida_tools.check_workchain_step(func)

Decorator for workchain steps that logs (and re-raises) errors occuring within that step.

aiida_tools.get_outputs_dict(process)

Helper function to get the RETURN and CREATE outputs of a process as a dict.