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Name Modified Size InfoDownloads / Week
README.txt 2014-07-29 1.1 kB
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piv_clustering_1.3.tar.gz 2014-07-29 1.7 MB
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piv_clustering_1.2.tar.gz 2014-06-26 971.6 kB
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piv_clustering_1.1.tar.gz 2014-02-14 823.2 kB
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piv_clustering_1.0.tar.gz 2013-09-03 824.1 kB
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gallet-jchemphys-139-074101-2013.pdf 2013-08-18 2.7 MB
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Totals: 6 Items   7.0 MB 0 
Please refer to document 'readme.pdf' in directory 'readme' for instructions
about installation and usage.

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    Changes from version 1.2 to 1.3:

* Fixed a bug in the calculation of distances with non-orthorombic cells 
  (pdb format).
* Fixed a bug in cluster*xyz files, and changed slightly their format.
* Added an option to print out the radial distribution function.
* Switched from 4-bytes to 2-bytes representation of PIV by default.
* Sorting of PIV is based on counting_sort instead of quicksort (50x faster!).
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    Changes from version 1.1 to 1.2:

* Added the possibility of reading pdb files with cell that varies from frame
  to frame (even triclinic).
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    Changes from version 1.0 to 1.1:

* A bug is fixed for the combined use of SPRINT coordinates with the Fermi-Dirac 
  coordination function.
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Source: README.txt, updated 2014-07-29