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Chemistry structure file converters

by berendona

Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).


http://chestrucon.sourceforge.net

Chemistry, Physics

Project Feed

  • chestrucon 0.3 file released: converter-v0.3.tar.gz

    0.2
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    - 2008-06-22 -
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    .: Fixing matrix in contcar2ins.awk
    
    0.2
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    - 2008-04-01 -
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    .: Add contcar2ins.sh
    
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    - 2007-11-20 -
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    .: Add missing matrix transpose
    .: Restructure ...

    05:10PM on Jun 22 2008

  • Fixing matrix

    Fixing a defect in matrix

    03:11PM on Jun 22 2008 by berendona

  • Add new script: CONCAT2INS

    Conversion of CONTCAR- and POSCAR-files produced by VASP into ins-files in space group P1 (no. 1). ins-files can be visualized by many crystal and molecular structure vizulaisation programms (e.g. Diamond ...

    09:09PM on Apr 01 2008 by berendona

  • chestrucon 0.2 file released: converter-v0.2.tar.gz

    0.2
    --------------
    - 2008-04-01 -
    --------------
    .: Add contcar2ins.sh
    
    --------------
    - 2007-11-20 -
    --------------
    .: Add missing matrix transpose
    .: Restructure project (add trunk, tags, branches)
    
    
    0.1
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    - 2007-11-15 -
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    .: ...

    08:59PM on Apr 01 2008

  • First converter is out: CTRL2POSCAR

    CTRL2POSCAR: You can convert CTRL-Files (LMTO) to POSCAR-Files (VASP)... For more information go to project wiki: https://chestrucon.wiki.sourceforge.net/

    07:09AM on Dec 06 2007 by berendona

  • chestrucon 0.1 file released: converter.tar.gz

    0.1
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    - 2007-11-15 -
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    .: Add CHANGELOG
    
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    - 2007-11-14 -
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    .: Upload all file - project init
    .: Test ctrl2poscar.awk

    08:27PM on Nov 15 2007

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