I-NoLLS: A program for interactive nonlinear least-squares fitting of the parameters of physical models

Computer Physics Communications

Volumn 102, Issue 1-3, 1997, Pages 252-268

  Law, Mark M ^a,b   Hutson, Jeremy M ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF ABERDEEN   (United Kingdom)

Author keywords

Interactive; Model fitting; Molecular potential energy surface; Nonlinear least squares; Optimization

Indexed keywords

ALGORITHMS; COMPUTER SOFTWARE; COMPUTER WORKSTATIONS; CURVE FITTING; EQUATIONS OF STATE OF GASES; INTERACTIVE COMPUTER SYSTEMS; INTERFACES (COMPUTER); LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; PARALLEL PROCESSING SYSTEMS;

MOLECULAR POTENTIAL ENERGY SURFACES; NONLINEAR LEAST SQUARES FITTING; SOFTWARE PACKAGE INOLLS; VAN DER WAALS COMPLEXES;

NATURAL SCIENCES COMPUTING;

EID: 0031547902     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0010-4655(97)00013-1     Document Type: Article

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