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[Licence| Download | New Version Template] aehm_v1_0.tar.gz(417 Kbytes) | ||
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Manuscript Title: The program LOPT for least-squares optimization of energy levels | ||

Authors: A.E. Kramida | ||

Program title: LOPT | ||

Catalogue identifier: AEHM_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 182(2011)419 | ||

Programming language: Perl v.5. | ||

Computer: PC, Mac, Unix workstations. | ||

Operating system: MS Windows (XP, Vista, 7), Mac OS X, Linux, Unix (AIX). | ||

RAM: 3 Mwords or more | ||

Word size: 32 or 64 | ||

Keywords: atomic energy levels, Ritz wavelengths, least-squares optimization. | ||

PACS: 02.60.Pn, 32.10.Fn, 32.30.-r, 32.30.Bv, 32.30.Jc, 33.15.Pw, 33.20.Kf, 33.20.Lg, 33.20.Ni. | ||

Classification: 2.2. | ||

Nature of problem:The least-squares energy-level optimization problem, i.e., finding a set of energy level values that best fits the given set of transition intervals. | ||

Solution method:The solution of the least-squares problem is found by solving the corresponding linear matrix equation, where the matrix is constructed using a new method with variable substitution. | ||

Restrictions:A practical limitation on the size of the problem N is imposed by the execution time, which scales as N and depends on the computer.^{3} | ||

Unusual features:Properly rounds the resulting data and formats the output in a format suitable for viewing with spreadsheet editing software. Estimates numerical errors resulting from the limited machine precision. | ||

Running time:1 sec for N = 100, or 60 sec for N = 400 on a typical PC. |

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