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Pseudopotential Studio

Jupyter Notebook 19 4 Updated May 6, 2021

Rendered math (MathJax) with Slack's desktop client

Python 305 28 Updated Feb 9, 2023

PRinceton Orbital-Free Electronic Structure Software

Fortran 28 15 Updated Jul 19, 2020

QE-GIPAW for Quantum-Espresso (official repository)

Fortran 34 11 Updated Jan 29, 2025

My own version of Quantum-Espresso

Fortran 1 Updated Jan 11, 2018

Real-time TDDFT for Quantum-Espresso

Fortran 24 13 Updated Jun 22, 2023

J. Chem. Theory Comput. 13: 4034-4042 (2017)

HTML 4 3 Updated Dec 20, 2018

Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy

Python 20 1 Updated Dec 18, 2020