Full Year 2025


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 >>  24 October 2025    :  Correcting mCIF_to_PCR. First steps for a new FullProf Suite.
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    - The version of mCIF_to_PCR that was distributed in the last version of the FullProf Suite
      was not correct for magnetic superspace groups. This has been reverted to a previous version
      that was correct.

    - The Web page of the FullProf Suite (FPS) has been modernized and a new package using PySide6 for
      the GUIs is also distributed. During the next year 2026 both packages will coexist. We are
      commited to replace all the GUIs, based in the propietary graphic library Winteracter, to
      PySide6 framework. In the present new FPS the Toolbar is nearly completed and a new FullProf Studio
      has been developed. Please communicate the possible bugs found in this package.

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 >>  11 August 2025     :  Corrections of bugs. New citation for FullProf.
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    - The presence of the keyword RKK in the IRF file for constant wavelength was giving rise
      to a reading error in the next line except when the line was the U,V,W,... parameters. This
      has been corrected.

    - The derivative of the profile function number 11 (Split-pseudo-Voigt) with respect to
      the parameter X (2theta dependency of the left eta parameter) was put to zero inadvertently.
      This has been corrected now.      

    - We have recently publish an article about FullProf concerned with magnetic structure determination.
      The article is open access and contains (together with the supplementary information) links to 
      documents and tutorials that may be used for self-training in the use of FullProf for magnetic
      structures. The reference for this article is 
          "Magnetic structure determination and refinement using FullProf", by
          Juan Rodriguez-Carvajal, Javier Gonzalez-Platas and Nebil A. Katcho
          Acta Crystallographica B81, 302-317 (2025)
                    

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 >>   8 April 2025     :  Additional boundary condition in Simulated Annealing within FullProf.
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    - The behaviour of box constraints, for boundary condition BC=0, in Simulated Annealing 
      within FullProf in the newest versions of the program was flexible in the sense that a 
      10% departure outside the limit was tolerated. Now if BC=0 a strict restriction is 
      applied. If we want to preserve this flexibility,the boundary condition should be
      set to 2 (BC=2).      
            
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 >>   6 April 2025     :  Improving the commands in FullProf.
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    - Some changes have been performed in the management of commands within the PCR file.
      A new document replacing the old FP_commands.pdf has been created and it is accessible 
      from the toolbar as: Help>Manuals>PDF files>FP_Commands.pdf
            
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 >>   1 April 2025     :  Correcting a bug concerning the name convention changes.
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    - The names of the *.fou and *.pgrid files were not correctly referred in the 
      *.inp and *.vesta files when using multi-pattern format of the PCR with a
      single pattern.
            
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 >>  27 February 2025  :  Updating the FullProf version. Minor changes.
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    - The current version of the FullProf program has been updated to:

           **********************************************************
           ** PROGRAM FullProf.2k (Version 8.20 - Feb2025-ILL JRC) **
           **********************************************************
           
    - The name of the *.mic, *.prf, ... files depending on the pattern when the format of the PCR file is 
      of type "multipattern" has been changed to the multipattern form (CODEFILEnphas_npat.*) even if there 
      is only a single pattern.
      
    - The length of the file names (including the path) in mCIF_to_PCR has been augmented to 512 characters.