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Quantum chemistry and solid state physics software package
A domain specific library for FFT from Quantum ESPRESSO
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.
Configuration files for JUBE
Public development project of the LAMMPS MD software package
Mirror of the Quantum ESPRESSO repository
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.
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.
Domain specific library for electronic structure calculations
This is the official GPL repository of the yambo code
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