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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials.
NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited-state TDDFT calculations. The code is written to take advantage of multilevel parallelisms of the FEAST eigenvalue solver to target systems containing many distributed-memory compute nodes. The real space mesh is generated using the software tetgen.
DD-AVX: Library of high-precision operations accelerated by AVX
DD-AVX: Library of high-precision operations accelerated by AVX.
author's page
http://www.slis.tsukuba.ac.jp/~s1530534/index.html
e-mail
hishinuma@slis.tsukuba.ac.jp
Double-Double (DD) precision operations are used to reduce rounding errors and improve the convergence of Krylov subspace methods.
This library has Double-Double precision operations accelerated by AVX and AVX2.
FSEM is a set of freeFEM++ scripts and C++ code to solve the drift-diffusion (DD) semiconductor device equations by the finite element method (FEM). It was initially developed for the nonlinear study of semiconductors under high optical injection.
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