Full Year 2025
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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.