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Browsing a curated database
- 01 August 2020
A common source of problems for new users of AiiDA often arises when they receive an exported database and want to get an idea of its content but don’t know how.
In the following section we will use the database from “Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds”.
How to visualize provenance
- 01 December 2019
The provenance graph of a database can be visually inspected, via graphviz, using both the python API and command-line interface.
This tutorial can be downloaded and run as a Jupyter Notebook: visualising_graphs.ipynb
aiida-crystal17 calculation
- 01 November 2019
The crystal17.main plugin is the core calculation plugin.
It is designed with a more programmatic
input interface , to create the input .d12 and .gui files,
from a set of AiiDA Data nodes.
