The distributed data SCF

DOI10.1016/S0010-4655(01)00439-8zbMath1035.81611OpenAlexW2061525157MaRDI QIDQ1348032

Ricky A. Kendall, Mark S. Gordon, Yuri Alexeev

Publication date: 15 May 2002

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(01)00439-8

zbMATH Keywords

quantum chemistrydynamic load balancingcluster computingdistributed data interfacenonuniform memory accessself consistent field

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (1)

Binary SCF: GAMESS improvements for energy evaluation based on SCF methods

Uses Software

• GAMESS
• ARMCI
• MPI
• GPSHMEM

Cites Work

• Numerical integration using Rys polynomials
• The distributed data interface in GAMESS
• Unnamed Item

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