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Leopold Talirz's Projects

activate_aiida icon activate_aiida

a package to activate an aiida environment, from a yaml config file

adis2023 icon adis2023

Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.

aep icon aep

Draft for AiiDA enhancement proposals (before use in offical AiiDA repo)

aiida-codes icon aiida-codes

Collection of compiled binaries for LSMO's computers

aiida-cp2k icon aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.

aiida-diff icon aiida-diff

AiiDA demo plugin that computes the difference between two files.

aiida-discoverer icon aiida-discoverer

Ansible scripts for setting up the server used during the AiiDA molsim tutorial 2019.

aiida-gudhi icon aiida-gudhi

AiiDA plugin for the GUDHI library for topological data analysis.

aiida-importer icon aiida-importer

Wweb app that allows user to upload an AiiDA database which is imported automatically

aiida-lsmo icon aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL

aiida-metapkg icon aiida-metapkg

This is simply the aiida metapackage to install AiiDA (aiida_core) with its most common dependencies

aiida-on-azure icon aiida-on-azure

Guide for setting up an AiiDA computational environment on Azure

aiida-phtools icon aiida-phtools

AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.

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