Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

Atomic interaction potentials based on artificial neural networks

The Temperature Dependent Effective Potentials (TDEP) code

Shroud: generate Fortran and Python wrappers for C and C++ libraries

A comprehensive guide on how to set up a complete development environment for Fortran in Visual Studio Code.

Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.

The TurboGAP code

ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training

Utility modules for dealing with generally-anisotropic elastic constants and other geophysics problems

phq: a Fortran code to compute phonon quasiparticle properties and dispersions

A code for evolutionary optimization of PAW datasets especially for high-pressure applications

ANEOS material model for Gasoline and ballic