TOPAS and TOPAS‐Academic: an optimization program integrating computer algebra and crystallographic objects written in C++

TOPAS and its academic variant TOPAS‐Academic are nonlinear least‐squares optimization programs written in the C++ programming language. This paper describes their functionality and architecture. The latter is of benefit to developers seeking to reduce development time. TOPAS allows linear and nonli...

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Veröffentlicht in:	Journal of applied crystallography Jg. 51; H. 1; S. 210 - 218
1. Verfasser:	Coelho, Alan A.
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.02.2018 Blackwell Publishing Ltd
Schlagworte:	Algebra C++ (programming language) Computer algebra Computer simulation conjugate gradient solutions method Crystal structure Crystallography Distribution functions Graphical user interface least squares Mathematical analysis Objective function Optimization pair distribution function Simulated annealing Single crystals TOPAS software
ISSN:	1600-5767, 0021-8898, 1600-5767
Online-Zugang:	Volltext
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