python interface to manage data requests from an external program, and calling aiida's functionalities
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Updated
Jan 24, 2020 - Python
python interface to manage data requests from an external program, and calling aiida's functionalities
AiiDA plugin for Bader charge analysis
Collection of AiiDA WorkChains for Material Discovery Studies
AiiDA plugin for Dummy engine in Yascheduler
AiiDA plugin for the OpenMX DFT code
A plugin package that enables the usage of the FEniCS computing platform with the AiiDA framework.
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
AiiDA workchains for (water) adsorption isotherms
AiiDA plugin for the HyperQueue metascheduler.
AiiDA data plugin for pandas DataFrame objects
A useful toolbox for using Aiida and constructing and viewing your initial structure for the simulation.
Tools for simplifying daily work with the AiiDA workflow engine
Interface with AiiDA to automate CASTEP calculations and preserve their provenance.
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
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