A bound constrained conjugate gradient solution method as applied to crystallographic refinement problems

Journal of Applied Crystallography

Volumn 38, Issue 3, 2005, Pages 455-461

  Coelho, A A ^a  

^a NONE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 20444456959     PISSN: 00218898     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0021889805006096     Document Type: Article

References (18)

1. Barrett, R., Berry, M., Chan, T. F., Demmel, J., Donato, J., Dongarra, J., Eijkhout, V., Pozo, R., Romine, C. & Van der Vorst, H. (1994). Templates for the Solution of Linear Systems: Building Blocks for Iterative Methods, 2nd ed. Philadelphia, PA: SIAM.
2. Bruker AXS (2004). TOPAS, V3.0. Bruker AXS, Karlsruhe, Germany.
3. Coelho, A. A. (2000). J. Appl. Cryst. 33, 899-908.
4. Coelho, A. A. (2004). TOPAS-Academic, http://pws.prserv.net/Alan.Coelho.
5. Fletcher, R. & Reeves, C. M. (1964). Comput. J. 7, 149-154.
6. Goebel, H. (1998). Personal communication.
7. Golub, G. & O'Leary, D. (1989). SIAM Rev. 31, 50-102.
8. Guillot, B., Viry, L., Guillot, R., Lecomte, C. & Jelsch, C. (2001). J. Appl. Cryst. 34, 214-223.
9. Hendrickson, W. A. & Konnert, J. H. (1980). Computing in Crystallography, edited by R. Diamond, S. Ramaseshan & K. Venkatesan, pp. 13.01-13.25. IUCr/Indian Academy of Sciences, Bangalore.
10. Hestense, M. R. & Stiefel, E. (1952). J. Res. Natl Bur. Stand. 49, 409-436.
11. Konnert, J. H. (1976). Acta Cryst. A32, 614.
12. Lister, S. E., Radosavljevic Evans, I., Howard, J. A. K., Coelho A. & Evans, J. S. O. (2004). Chemical Communications, Issue 22.
13. Le Bail, A. & Cranswick, L. M. D. (1998). Structure Determination by Powder Diffractometry Round Robin, http://www.cristal.org/SDPDRR/.
14. Li, X.-F., Feng, Y.-Q., Gao, B. & Li, N. (2003). Acta Cryst. E59, o1638-o1639.
15. Marquardt, D. W. (1963). J. Soc. Ind. Appl. Math. 11, 331-431.
16. Nash, J. C. (1990). Compact Numerical Methods for Computers. Bristol: Adam Hilger.
17. Polak, E. (1971). Computational Methods in Optimization, §2.3. New York: Academic Press.
18. Sussman, J. L., Holbrook, R., Church, M. & Kim, S.-H. (1977). Acta Cryst. A33, 800-804.