A new computer program for topological, visual analysis of 3D particle configurations based on visual representation of radial distribution function peaks as bonds
(English)In: Computer Physics Communications, ISSN 0010-4655, E-ISSN 1879-2944Article in journal (Refereed) Submitted
We present a new program able to perform unique visual analysis on generic particle systems: PASYVAT (PArticle SYstem Visual Analysis Tool). More specifically, it can perform a selection of multiple interparticle distance ranges from a radial distribution function (RDF) plot and display them in 3D as bonds. This software can be used with any data set representing a system of particles in 3D. In this manuscript the reader will find a description of the program and its internal structure, with emphasis on its applicability in the study of certain particle configurations, obtained from classical molecular dynamics simulation in condensed matter physics.
radial distribution function, molecular dynamics, visual analysis, bonding, topology
Condensed Matter Physics Software Engineering
Research subject Physical Chemistry
IdentifiersURN: urn:nbn:se:su:diva-115845OAI: oai:DiVA.org:su-115845DiVA: diva2:800392