about libDBCSR - A sparse matrix library
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CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as DFT. Using the mixed Gaussian and plane waves approaches. And to make modifications as needed.
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about libDBCSR - A sparse matrix libraryDESCRIPTION
LibDBCSR - A sparse matrix library. LibDBCSR or DBCSR for short is a sparse matrix library designed to efficiently perform sparse matrix matrix multiplication, among other operations. It is MPI and OpenMP parallel, and can exploit accelerators. It is developed as part of CP2K. Where it provides core functionality for linear scaling electronic structure theory. A general overview of the library has been published. A discussion of recent developments, in particular GPU work, has appeared as a chapter.CONTENT
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