https://github.com/llnl/frescox

Scattering code Frescox for coupled-channels calculations
https://github.com/llnl/frescox

coupled-channels fortran fortran90 fresco math-physics

Last synced: 12 days ago
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Scattering code Frescox for coupled-channels calculations

• Host: GitHub
• URL: https://github.com/llnl/frescox
• Owner: LLNL
• License: gpl-2.0
• Created: 2020-06-10T22:42:49.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2024-05-09T20:34:00.000Z (9 months ago)
• Last Synced: 2024-11-11T21:38:57.541Z (2 months ago)
• Topics: coupled-channels, fortran, fortran90, fresco, math-physics
• Language: Fortran
• Homepage:
• Size: 5.91 MB
• Stars: 15
• Watchers: 7
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: COPYING.pdf

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README

        
# Frescox

Scattering code Frescox for coupled-channels calculations

FRESCOX   FRXY version 7.2.2 at https://github.com/LLNL/Frescox

LLNL-CODE-811517

This directory contains four sub-directories: source, man, test and util.

The source/ directory contains : Fortran files *.f,

                                 fx*.def files for separate machines

  File nagstub.f in the case you do not have the nag library locally.

The test/   directory contains : at least 6 test jobs xeta, lane20 & f19xfr,

                                             e80f49b, on2 & be11

                                 their various outputs  SUN/*.out 

               (The input files were originally CRAY UNICOS jobs,

                hence the comments at the beginning.)

The man/   directory contains the instruction manual in latex:

                      frescox-input-manual.tex: latex source 

                      frescox-input-manual.pdf: printable output

More documentation is at http://www.fresco.org.uk/documentation.htm

To compile FRESCOX,

 

   1) Enter frxy/source, and then edit the makefile for your target machine,

	by setting the MACH variable as appropriate (either in the makefile

		or in our local shell setup),

	by choosing the file nagstub.f if the NAG library not available

	

	The script 'mk' attempts to guess the correct MACH settings

	for ordinary frescox version AND compile in a corresponding subdirectory.

   2) Edit aliases there,

      to set FRESCOXLIB to point to directory for storing the binary

   3) Copy your aliases to ~/.fresco.aliases

      Edit FRESCOXLIB according to 2) above

      Execute .fresco.aliases e.g. in .cshrc  by including:	

        source ~/.fresco.aliases

If you are to install frescox yourself in a standard bin directory, 

       then steps 3 and 4 may be omitted, and step 2' performed manually.

 If your compiler is gfortran, for example, then:

   2') Compile the subroutines required by:

        

        make MACH=gfortran

   4) Install, to copy `frescox' to the FRESCOXLIB.

        make MACH=gfortran install

   5) Clean up, with:	

        make clean

  

To run FRESCOX,

   1) Enter test/ directory.

   2) The scripts include commands to construct temporary 'data' files. 

	These scripts are run by just saying  e.g.

           frescox < lane20.nin > lane20.out

        See file 'do-all.bat' to run all the test cases

   3) In the test/legacy directory there are executable 'job' run scripts

      To save the output in a file .e.g. `out', run the scripts by

       lane20.job > out &

         or simply (using the 'run' command in the 'aliases' file):;

       run lane20.job 

         to use input file lane20.job and produce output file lane20.out.

   4) To save any other output files from frescox, e.g. fort.16 for 

      cross sections, 

         touch lane20.xsecs

         ln -s lane20.xsecs fort.16

      before running frescox.

      The file fort.16 may have to be called for016.dat on some machines.

Please let me know if you have any questions or problems:

    

   [email protected]

Cheers, Ian Thompson

November 2022