Density Matrix GPU construction for DFTB+

Published January 24, 2023 | Version 1.0

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This patch utilizes MAGMA BLAS functions to construct the density matrix in the GPU for DFTB+.

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dftbplus-19.1-gpu_dm.tar.bz2 md5:d7df95a3a717144b411c1569a06c7cdf	2.0 kB	Download

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Other

Publisher

Zenodo

Languages

English

License: GNU Lesser General Public License v3.0 or later

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