Program title: rmatrix
Catalogue identifier: AEYP_v1_0
Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEYP_v1_0.html
Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland
Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html
No. of lines in distributed program, including test data, etc.: 6090
No. of bytes in distributed program, including test data, etc.: 86122
Distribution format: tar.gz
Programming language: Fortran 90.
RAM: Memory usage strongly depends on the nature of the problem (number of channels, size of the basis).
Classification: 17.8.
External routines: If available, the LAPACK library can be used for matrix inversion (faster than the sub-routine included in the package).
Nature of problem: Solving coupled-channel problems for positive energies; the package provides the collision matrix and the associated wave function for given energy, spin and parity.
Solution method: The coupled-channel system is solved with the R-matrix method, and Lagrange functions are adopted. Propagation of the R-matrix can be performed.
Restrictions: For non-local potentials, the propagation technique cannot be used.
Running time: strongly depends on the nature of the problem. For single-channel calculations, the running type is typically less than 1 s. For large scale calculations (typically more than 100 channels), the running time may increase up to several minutes on a multi-CPU Linux machine.