#

judft

Here are 5 public repositories matching this topic...

JuDFTteam / masci-tools

Post-processing toolkit for electronic structure calculations

visualization utility parsing toolkit band-structure density-functional-theory density-of-states materials-informatics high-throughput electronic-structure forschungszentrum-juelich computational-materials-science judft

Updated Dec 16, 2024
Python

JuDFTteam / aiida-kkr

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

Updated Dec 10, 2024
Python

JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

workflow band-structure density-functional-theory magnetism aiida ab-initio high-throughput electronic-structure plane-wave kohn-sham all-electron forschungszentrum-juelich spintronics condensed-matter-physics full-potential computational-materials-science judft

Updated Dec 12, 2024
Python

JuDFTteam / aiida-jutools

Tools for simplifying daily work with the AiiDA workflow engine

workflow data-science utility dft toolkit pandas provenance density-functional-theory aiida materials-science materials-informatics high-throughput computational-science forschungszentrum-juelich computational-materials-science judft

Updated Jul 17, 2024
Python

janssenhenning / aiida-dataframe

AiiDA data plugin for pandas DataFrame objects

python pandas aiida dataframe ias pgi aiida-plugin judft aiida-framework

Updated Nov 4, 2024
Python

Improve this page

Add a description, image, and links to the judft topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the judft topic, visit your repo's landing page and select "manage topics."