Multithreaded shared memory parallel implementation of the electronic structure code GAMESS

DOI10.1016/S0010-4655(00)00067-9zbMath1003.81583OpenAlexW1987466814MaRDI QIDQ1578123

Barry Bolding, Kim K. Baldridge

Publication date: 2 February 2003

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(00)00067-9

zbMATH Keywords

general atomic molecular electronic structure system

Mathematics Subject Classification ID

Other programming paradigms (object-oriented, sequential, concurrent, automatic, etc.) (68N19) 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

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