aiidalab-qe-examples

Collection of examples ready to be imported in the Quantum ESPRESSO app.

How to add new examples

To add a new example, please put the corresping export file in the examples folder, and add a line in the examples_list.txt file in the corresponding format: <name_of_the_file> - <short description or label of the QeAppWorkChain node>.

How to add a plugin dependency

If the example requires a given set of Quantum ESPRESSO app plugins to be loaded, you can specific them in the corresponding line of the examples_list.txt, just adding: / plugins: <plugin1>, <plugin2> and so on. You can check the already provided examples.

Versioning

This repo will be tagged to mark its compatability with versions of the Quantum ESPRESSO app.