Code Invocation

There are several scripts

The last one is tds2el and is runned several times and can do many many things according to the options selected in the input file :

  • to do a coarse interpolation of the volume on a cubic grid ( just for confort ofvisualisation )

  • To do the harvesting of the spots around the Bragg peaks and store them into a hdf5 file

  • to further work on the harvest for:

    • fine interpolating around selected Bragg peaks for visualising the data and discover what’s going on
    • fitting the elastic constants
    • finely retuning r1,r2,r3 and the cell parameters AA, BB, CC
    • doing both the two previous action at the same time
    • visualising the calculated diffused arounf peaks ( actually all the visualisation consist in writing a cubic grid to a file )

How can I call the scripts?

  • System Installation

    If the package has been installed in the system, you have tds2el_config and tds2el in your path. Mind that, depending on how has been runned, the version number might be post-pended to the script name. For version 0_1 you may have to call tds2el0_1 and tds2el_config0_1.

  • Local installation

    In this case the package sits somewhere. If you have installed with the commands

    export TD=${PWD}/dummy/
    python install --prefix ${TD}

    then to run the code you must do beforehand

    export PYTHONPATH=${PWD}/dummy/lib/python2.7/site-packages
    export PATH=${PWD}/dummy/bin/:$PATH
  • The Arguments : both scripts takes arguments in the form of name of files containing options Go to the sections dedicated to the scripts for details.

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tds2el_extract_maxima: Extracting positions and screening of the spots

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