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NEA-1111 GROUPXS.

GROUPXS, MF6 Format ENDFB-6 Continuum Region Diffusion Cross-Sections Processing

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1. NAME OR DESIGNATION OF PROGRAM:  GROUPXS.
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2. COMPUTERS
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Program name Package id Status Status date
GROUPXS NEA-1111/01 Tested 02-APR-1987
GROUPXS NEA-1111/02 Tested 02-DEC-1994

Machines used:

Package ID Orig. computer Test computer
NEA-1111/01 CDC 7600 CDC CYBER 740
NEA-1111/02 IBM PC PC-80486
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3. DESCRIPTION OF PROGRAM OR FUNCTION

The code GROUPXS has been written for file handling and processing of the double-differential  continuum-emission cross sections stored in the new MF6 format of ENDF/VI. This code has the following options to treat the energy- angle data that are supposed to be represented by a Legendre- polynomial expansion in the center-of-mass system:
(1) Conversion of MF6 data from center-of-mass system to laboratory   system, with the possibility to continue the calculation with     options (2), (3) or (4).
(2) Conversion of Legendre-polynomial representation into point-wise     angular data, again in MF6 format.
(3) Conversion of data from MF6 into MF4 + MF5 (ENDF-V).
(4) Calculation of group constants, scattering matrices and transfer  matrices for arbitrary group structures with a fusion micro-flux     weighting spectrum (Pn-approximation).
The code only treats continuum reaction types that are stored in the MF6 format with the restrictions as specified for the European Fusion File (EFF1). These restrictions are not inconvenient for the purpose of fusion neutronics calculations and they facilitate relatively simple processing.
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4. METHOD OF SOLUTION

Numerical integration methods are used (DCADRE-routine from IMSL-library).
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

- Incident energies on the ENDF input file for MF=3 and for MF=6 are   supposed to be exactly the same, and in increasing order.
- The code has been tested for outgoing neutrons only (other   particles are treated as well).
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6. TYPICAL RUNNING TIME

The sample problem takes 82 CPU seconds on CYBER 170/855 (CDC), under NOS/BE.
NEA 1111/01: NEA-DB executed the test case included in this package  on a CDC CYBER 740 computer in 486 seconds of CPU time.
NEA-1111/02
NEA-DB ran the test case of GROUPX on a PC/80486 (66 MHz) in about 50 seconds.
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7. UNUSUAL FEATURES OF THE PROGRAM

Treatment of the MF6 format of ENDF-VI (continuous double differential cross sections) with the restrictions adopted for the European Fusion File.
Only reaction types with a continuum particle-emission spectrum are considered, e.g. MT=91 (inelastic scattering), MT=16, 17. A special, lumped, reaction type is total continuum cross section, indicated by MT=10 (the sum of all cross sections of processes in which particles are emitted into the continuum). The double-differential particle production cross sections may be expressed in center-of-mass or in laboratory coordinates. The code includes an optional transformation to lab. system.
However the use of the new MF6 format is restricted to LAW=1 (tabulated continuum energy-angle distribution) and LANG=1 (Legendre-coefficient representation). The code has an option to translate this format into LAW=1, LANG=12 (tabulated representation  as a function of cosine theta).
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8. RELATED AND AUXILIARY PROGRAMS:
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9. STATUS
Package ID Status date Status
NEA-1111/01 02-APR-1987 Tested at NEADB
NEA-1111/02 02-DEC-1994 Tested at NEADB
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10. REFERENCES

- DCADRE, Numerical Integration of a Function Using Cautious
  Adaptive Romberg Extrapolation,
  IMSL Library, reference manual, Vol. 1.
NEA-1111/01, included references:
- H. Gruppelaar, D. Nierop and J.M. Akkermans:
  Processing of Double-Differential Cross-Sections in the New
  ENDF-VI Format - GROUPXS Code Description and Users' Manual.
  ECN-182  (April 1986)
NEA-1111/02, included references:
- H. Gruppelaar, D. Nierop and J.M. Akkermans:
  Processing of Double-Differential Cross-Sections in the New
  ENDF-VI Format - GROUPXS Code Description and Users' Manual.
  ECN-182  (April 1986)
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11. MACHINE REQUIREMENTS

70K central memory on CYBER 170/855 (CDC) under NOS/BE. Double-precision may be needed for the c.m. to lab. conversion on IBM computers.
NEA-1111/01
The test case of this package was executed on a CDC CYBER 740 computer in 177,000 (octal) words of CM.
NEA 1111/02: The test case was run at NEA-DB on a DELL 466/L PC/80486, 66 MHz, with 16 Mbytes of RAM. The size of the executable  file created using the Lahey compiler and linker (using the stub-loader) is 461 Kbytes. The filesize of the input data library is 540 Kbytes.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-1111/01 FORTRAN-77
NEA-1111/02 FORTRAN
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13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED:  NOS/BE.
NEA-1111/01
The test case was run under NOS 2.5.1 664/650 (CDC CYBER 740).
NEA 1111/02: The test case was run under MS-DOS 6.2. The source program was compiled and linked using the Lahey F77L-EM/32 FORTRAN 77 compiler Version 5.20 and the Lahey linker 386LINK Version 5.1, respectively.
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

The reaction cross section is stored in file 3 (MF3) as a function of incident energy. At present the ENDF-V format is used for MF3; this  could very easily be extended to ENDF-VI. The quantities Y1 (yields) and F1,1(E->E') are stored in file 6 (MF6)as defined in ENDF-VI.
For numerical integration the function DCADRE was used from the IMSL library; reference manual, vol.1.
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15. NAME AND ESTABLISHMENT OF AUTHORS

          H. Gruppelaar, J.M. Akkermans, D. Nierop
          Netherlands Energy Research Foundation ECN
          P.O. Box 1
          NL-1755 ZG Petten, The Netherlands

IBMPC Version:
          Dr. Valery Goulo
          Nuclear Data Section
          International Atomic Energy Agency
          P.O. Box 100
          A-1400 Vienna, Austria
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16. MATERIAL AVAILABLE
NEA-1111/01
File name File description Records
NEA1111_01.001 Information file 45
NEA1111_01.002 JCL information 14
NEA1111_01.003 GROUPXS source program 3648
NEA1111_01.004 GROUPXS sample problem input 22
NEA1111_01.005 GROUPXS data input in ENDF format 6742
NEA1111_01.006 GROUPXS sample problem output 3162
NEA-1111/02
File name File description Records
NEA1111_02.001 GROUPXS Information File 235
NEA1111_02.002 GROUXS1 source code file # 1 2051
NEA1111_02.003 GROUXS2 source code file # 1 1616
NEA1111_02.004 Batch file to create the GROUPXS executable 37
NEA1111_02.005 GROUPXS executable file (using Lahey tools) 0
NEA1111_02.006 GROUPXS executable file (original) 0
NEA1111_02.007 Input data file in ENDF-VI format 6742
NEA1111_02.008 Sample input file (containing the test case) 22
NEA1111_02.009 Sample output file 303
NEA1111_02.010 Output file with the transfer matrices 1064
NEA1111_02.011 File with general information 915
NEA1111_02.012 Output file in MF3 format (ENDF-V) 13
NEA1111_02.013 Output file in MF6 format (ENDF-VI) 1036
NEA1111_02.014 File with error messages issued at execution 1588
NEA1111_02.015 File of Lahey run-time error messages 0
NEA1111_02.016 DOS file-names 15
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17. CATEGORIES
  • M. Data Management

Keywords: ENDF/B, angular distribution, cross sections, data analysis, data processing, group constants, legendre polynomials, mathematical models, scattering.