Object-oriented construction of a multigrid electronic-structure code with Fortran 90

DOI10.1016/S0010-4655(00)00056-4zbMath0966.65100arXivphysics/9911031MaRDI QIDQ1587740

Yong-Hoon Kim, Richard M. Martin, In Ho Lee

Publication date: 16 August 2001

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/9911031

zbMATH Keywords

performancefinite difference methodmultigrid methodFortran 90object-oriented programmingdensity-functional theoryelectronic structurescientific computing

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) PDEs in connection with optics and electromagnetic theory (35Q60) Finite difference methods applied to problems in optics and electromagnetic theory (78M20) Finite difference methods for boundary value problems involving PDEs (65N06) Motion of charged particles (78A35) Complexity and performance of numerical algorithms (65Y20)

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