fabioaffinito

FFTXlib

A domain specific library for FFT from Quantum ESPRESSO

2degas

benchmarks

cp2k

Quantum chemistry and solid state physics software package

JUBE

The JUBE benchmarking environment provides a script based framework to easily create benchmark sets, run those sets on different computer systems and evaluate the results. It is actively developed by the Jülich Supercomputing Centre of Forschungszentrum Jülich, Germany.

jube-files

Configuration files for JUBE

lammps

Public development project of the LAMMPS MD software package

q-e

Mirror of the Quantum ESPRESSO repository

QENESAP

QEPhiFFT

This repository contains a version of QE performing the offload of the FFT on the Intel Xeon Phi card. This version is experimental and no support is granted.

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

SIRIUS

Domain specific library for electronic structure calculations

yambo

This is the official GPL repository of the yambo code