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NESC0987 L2RMAT.

L2RMAT, L**2 Method of R Matrix Propagation

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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.