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SIRIUS is a domain specific library for electronic structure calculations. It
implements pseudopotential plane wave (PP-PW) and full potential linearized
augmented plane wave (FP-LAPW) methods and is designed for GPU acceleration of
popular community codes such as Exciting, Elk and Quantum ESPRESSO. SIRIUS is
written in C++14 with MPI, OpenMP and CUDA/ROCm programming models. SIRIUS is
organised as a collection of classes that abstract away the different building
blocks of DFT self-consistency cycle.
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