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NESC0987 L2RMAT.

L2RMAT, L**2 Method of R Matrix Propagation

NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROBLEM OR FUNCTION, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED, OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHOR, MATERIAL, CATEGORIES
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1. NAME OR DESIGNATION OF PROGRAM:  L2RMAT.
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2. COMPUTERS
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Program name Package id Status Status date
L2RMAT NESC0987/01 Tested 20-APR-1994

Machines used:

Package ID Orig. computer Test computer
NESC0987/01 CDC 7600 CRAY EL98
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3. DESCRIPTION OF PROBLEM OR FUNCTION

Standard R-matrix methods are used to compute a series of Wigner R-matrices each covering a small  region of the scattering coordinate for a model atom-diatom collinear vibrational excitation problem. The R-matrices so obtained are then combined using the R-matrix propagation algorithm.
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4. METHOD OF SOLUTION:
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM:
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6. TYPICAL RUNNING TIME:
NESC0987/01
NEA-DB ran the test case included in this package on a
Cray-EL98 computer in about 3 seconds of CPU time.
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7. UNUSUAL FEATURES OF THE PROGRAM:
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8. RELATED AND AUXILIARY PROGRAMS:
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9. STATUS
Package ID Status date Status
NESC0987/01 20-APR-1994 Tested at NEADB
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10. REFERENCES:
NESC0987/01, included references:
- R.B. Walker and B.I. Schneider:
  An L**2 Approach to R-Matrix Propagation. Paper LBL-9501 Vol.1
  (June 1979) pp.377-390
- R.B. Walker:
  An L**2 Approach to R-Matrix Propagation: Followup Report.
  Paper LBL-9501 (July 1980) pp.93-100
- L. Eyberger:
  L2RMAT Tape Description
  NESC Note 82-103 (August 20, 1982).
- L2RMAT Sample Output (June 16, 1982).
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11. MACHINE REQUIREMENTS:
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NESC0987/01 FORTRAN-IV
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13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED:
NESC0987/01
UNICOS.
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS:
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15. NAME AND ESTABLISHMENT OF AUTHOR

R.B. Walker and B.I. Schneider
Theoretical Division
Los Alamos Scientific Laboratory
Los Alamos, New Mexico 87545, U. S. A.
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16. MATERIAL AVAILABLE
NESC0987/01
File name File description Records
NESC0987_01.001 Information file 60
NESC0987_01.002 Machine-readable documentation 412
NESC0987_01.003 Control information (CDC version) 38
NESC0987_01.004 JCL and control information (by NEADB) 15
NESC0987_01.005 COEF FORTRAN source program 464
NESC0987_01.006 COEF sample input 8
NESC0987_01.007 L2RMAT FORTRAN source program 2596
NESC0987_01.008 L2RMAT sample problem input 13
NESC0987_01.009 Subroutine POT and LIST FORTRAN source 336
NESC0987_01.010 EISPACK FORTRAN subroutine 354
NESC0987_01.011 COEF sample output 15
NESC0987_01.012 L2RMAT sample problem output 263
NESC0987_01.013 L2RMAT tape 51 sample problem output 21
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17. CATEGORIES
  • W. Physics

Keywords: R matrix, atoms, molecules, scattering.