ltalirz/ltalirz.github.io

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ltalirz/ltalirz.github.io

ltalirz

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Home page of Leopold Talirz

asetk

Toolkit using the Atomistic Simulation Environment (ASE)

atomistic-software

Tracking citations of atomistic simulation engines

epw-school-2021

2021 Virtual School on Electron-Phonon Physics and the EPW code

aiida-graph-render

How to render a complex AiiDA graph using GePhi

flask-sqlalchemy-circular-imports

Minimum working example for avoiding circular imports with flask_sqlalchemy

holoviews-dynamic-hover

Combines datashader with dynamic bokeh overlay depending on zoom level

livecoms-atomistic-software

Git repository accompanying the LiveCoMS perpetual review on atomistic.software

moodle-qformat_qtex

QuestionTeX Moodle plugin for multiple choice tests

aiida-on-azure

Guide for setting up an AiiDA computational environment on Azure

open-7m-workout

Open-source implementation of 7-minute workout

aiida-psi4

AiiDA plugin for the Psi4 Quantum Chemistry package

upf-schema

An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite

cif-parsing-benchmark

Evaluate performance of python libraries for parsing CIF files containing several hundreds of atoms.

QuestionTeX

QuestionTeX is a LaTeX package for writing multiple choice tests

paramiko

The leading native Python SSHv2 protocol library.

jsmol-bokeh-extension

JSmol extension for bokeh

aiida-gudhi

AiiDA plugin for the GUDHI library for topological data analysis.