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Tcl/Tk‐based programs. IV. CALCRYS : crystallographic calculator
Author(s) -
Urzhumtseva L. M.,
Urzhumtsev A. G.
Publication year - 2000
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889800003794
Subject(s) - calculator , simple (philosophy) , computer science , computational science , algebraic number , order (exchange) , computation , algebra over a field , theoretical computer science , crystallography , algorithm , mathematics , pure mathematics , chemistry , mathematical analysis , operating system , philosophy , epistemology , finance , economics
1. The crystallographic problem Crystallographers need to make a number of simple algebraic calculations in order to obtain lengths, angles, define relations between molecules, transformations of the coordinates, etc. These calculations can be performed by general means, e.g. either with a pocket calculator or with a computer using standard mathematical packages. Another possibility is to have a specialized tool, tuned particularly to these calculations, easy to call and to use, and fast to address the problem.