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A performance and scaling benchmark set for electronic structure calculations. Contains systems used in benchmarks for 15+ KS-DFT codes and KS solvers, alongside new systems included to fill gaps in the literature benchmarks.
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JSON library written in Fortran 2003. Designed with portability across HPC architectures in mind.
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ELSI: A software interface designed for electronic structure codes to connect with ELPA, libOMM, PEXSI, SLEPc-SIPs, NTPoly, and other solver libraries.
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ELSI reverse communication interface for iterative eigensolvers.
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ELSI reverse communication interface for iterative eigensolvers.
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Fork of the ELPA eigensolver library http://gitlab.mpcdf.mpg.de/elpa/elpa (going to be merged back in the near future)
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ELSI: A software interface designed for electronic structure codes to connect with ELPA, libOMM, PEXSI, EigenExa, SLEPc, NTPoly, BSEPACK, LAPACK, MAGMA, and other solver libraries.
