aiida
Here are 41 public repositories matching this topic...
python interface to manage data requests from an external program, and calling aiida's functionalities
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Jan 24, 2020 - Python
AiiDA plugin for Bader charge analysis
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Oct 10, 2024 - Python
Collection of AiiDA WorkChains for Material Discovery Studies
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May 21, 2020 - Python
Ansible Role — AiiDA
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Jul 28, 2018
This repository contains different tutorials for various juDFT codes
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Jul 5, 2024 - Jupyter Notebook
AiiDA plugin for Dummy engine in Yascheduler
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Dec 9, 2022 - Python
Materials Simulation Environment
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Jul 7, 2020 - JavaScript
AiiDA plugin for the OpenMX DFT code
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Jul 29, 2021 - Python
A plugin package that enables the usage of the FEniCS computing platform with the AiiDA framework.
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Nov 15, 2021 - Python
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
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Aug 21, 2024 - Python
AiiDA workchains for (water) adsorption isotherms
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Sep 12, 2019 - Python
AiiDA plugin for the spirit code
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Jun 23, 2023 - JavaScript
A React component to explore AiiDA provenance
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Aug 31, 2024 - JavaScript
A useful toolbox for using Aiida and constructing and viewing your initial structure for the simulation.
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Nov 22, 2021 - Python
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