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Autor:
Vuong, Van-Quan, Cevallos, Caterina, Hourahine, Ben, Aradi, Bálint, Jakowski, Jacek, Irle, Stephan, Camacho, Cristopher
Publikováno v:
Journal of Chemical Physics; 2/28/2023, Vol. 158 Issue 8, p1-10, 10p
This patch utilizes MAGMA BLAS functions to construct the density matrix in the GPU for DFTB+.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dcde3226ffdab74afd746eb69b54c44f
