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RMG v6.0.0

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@elbriggs elbriggs released this 16 May 23:50
· 37 commits to master since this release
b9f4961

The RMG developers are pleased to announce the release of version 6.0.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support for Nvidia, AMD and Intel hardware. RMG v6.0.0 is a major update to the version 5.x releases. New features include Intel GPU support, major updates to the TDDFT module which enable larger calculations, improved accuracy for non-orthogonal lattice types and improved stress calculations.