SYVA: a program to analyze symmetry of molecules based on vector algebra

DOI10.1016/J.CPC.2017.01.019MaRDI QIDQ1739613zbMATH OpenOpenAlexFDO

Authors László Gyevi-Nagy, Gyula Tasi

Publication date 26 April 2019

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

Full work available at URL https://doi.org/10.1016/j.cpc.2017.01.019

zbMATH Keywords

framework groupmolecular symmetrysymmetrizationvector algebra

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to biology (92-04) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
• scientific article; zbMATH DE number 3682017 (Why is no real title available?)
• scientific article; zbMATH DE number 4118601 (Why is no real title available?)
• scientific article; zbMATH DE number 5486285 (Why is no real title available?)
• scientific article; zbMATH DE number 3197023 (Why is no real title available?)
• scientific article; zbMATH DE number 3071015 (Why is no real title available?)
• Vector algebra and molecular symmetry: a tribute to Professor Josiah Willard Gibbs

Cited in

(4)

• Improved algorithms for symmetry analysis: structure preserving permutations
• Vector algebra and molecular symmetry: a tribute to Professor Josiah Willard Gibbs
• Application of point-group symmetries in chemistry and physics: a computer-algebraic approach
• SYVA

Describes a project that uses

Uses Software

• GAUSSIAN
• NWChem
• SYMAPPS
• SYMMOL
• GitHub

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