BilKristal 4.0: A tool for crystal parameters extraction and defect quantification
Date
2015Source Title
Computer Physics Communications
Print ISSN
104655
Publisher
Elsevier
Volume
195
Pages
214 - 215
Language
English
Type
ArticleItem Usage Stats
264
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226
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Abstract
In this paper, we present a revised version of BilKristal 3.0 tool. Raycast screenshot functionality is added to provide improved visual analysis. We added atomic distance analysis functionality to assess crystalline defects. We improved visualization capabilities by adding high level cut function definitions. Discovered bugs are fixed and small performance optimizations are made. © 2015 Elsevier B.V. All rights reserved.
Keywords
Basis vectorsChemistry
Crystal
Crystallography
Material science
Pattern recognition
Primitive vectors
Space group
Symmetry
Application programming interfaces (API)
Atoms
C++ (programming language)
Chemistry
Computer graphics
Computer networks
Computer operating systems
Crystal atomic structure
Crystal defects
Crystal structure
Crystallography
Crystals
Information analysis
Information retrieval
Molecular graphics
Pattern recognition
Personal computers
Problem oriented languages
Software testing
Surface defects
Vector spaces
Vectors
Visualization
Volume rendering
Windows operating system
Basis vector
Direct volume rendering
Material science
Performance optimizations
Space Groups
Statistical information
Unstructured tetrahedral meshes
View dependent visualization
Crystal symmetry
Permalink
http://hdl.handle.net/11693/24325Published Version (Please cite this version)
http://dx.doi.org/10.1016/j.cpc.2015.04.013Collections
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