Posts tagged calculations

aiida-shell: Make running programs through AiiDA a piece of cake

Historically, to run any external program through AiiDA, a set of plugins is required. Plugins are pieces of Python code that would instruct AiiDA how to write the inputs files of the target program, and how to parse the outputs. Having to write these plugins is not trivial for new users and it notoriously increases the learning curve of AiiDA. But even for experienced users, being forced to write plugins for each new program, severly slows down the speed of development and makes prototyping difficult.

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