Programs in Physics & Physical Chemistry
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Programs in Physics & Physical Chemistry |
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| Manuscript Title: An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix | ||
| Authors: Tomasz Dziubak, Jacek Matulewski | ||
| Program title: Davidson | ||
| Catalogue identifier: ADZM_v1_0 Distribution format: tar.gz | ||
| Journal reference: Comput. Phys. Commun. 177(2007)676 | ||
| Programming language: C++. | ||
| Computer: All. | ||
| Operating system: Any. | ||
| RAM: User's parameters dependent | ||
| Word size: 32 and 64 bits | ||
| Supplementary material: Test results for the 2D and 3D cases are available. | ||
| Keywords: eigenstate, eigenvalue, eigenvector, real symmetric matrix, Davidson method, computational physics, computational quantum chemistry. | ||
| PACS: 02.10.Yn, 03.65.Fd, 31.15.-p, 02.70.Wz. | ||
| Classification: 4, 4.8. | ||
Nature of problem: Finding a few extreme eigenpairs of a real, symmetric, sparse matrix. Examples in quantum optics (interaction of matter with a laser field). | ||
Solution method: Davidson algorithm. | ||
Running time: The test example included in the distribution package (1D matrix) takes approximately 30 minutes to run. 2D matrix calculations can take hours and 3D, days, to run. |
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