A tool for pattern information extraction and defect quantification from crystal structures
收藏Mendeley Data2023-02-23 更新2024-06-26 收录
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Abstract
In this paper, we present a revised version of BilKristal 2.0 tool. We added defect quantification functionality to assess crystalline defects. We improved visualization capabilities by adding transparency support and runtime visibility sorting. Discovered bugs are fixed and small performance optimizations are made.
Title of program: BilKristal 3.0
Catalogue Id: ADYU_v3_0
Nature of problem
Determining the crystal structure parameters of a material is a very important issue in crystallography. Knowing the crystal structure parameters helps the understanding of the physical behavior of material. For complex structures, particularly for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be very hard.
Versions of this program held in the CPC repository in Mendeley Data
ADYU_v1_0; BilKristal; 10.1016/j.cpc.2007.01.002
ADYU_v2_0; BilKristal 2.0.; 10.1016/j.cpc.2013.09.020
ADYU_v3_0; BilKristal 3.0; 10.1016/j.cpc.2014.09.017
ADYU_v4_0; BilKristal 4.0; 10.1016/j.cpc.2015.04.013
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2020-01-07
