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towhee-doc-7.0.4-2.fc18.noarch.rpm

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  <title>MCCCS Towhee (xmd2towhee)</title>
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     <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (xmd2towhee)</font></b> </font> </div>
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     <p>&nbsp; </p>
     <p>&nbsp;</p>
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     <dt><b>Overview</b> 
      <ul>
       This section explains the xmd2towhee Towhee utility program.  This program converts EAM force field files that are in the XMD format into a format
       suitable for use in Towhee.
      </ul>
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     <dt><b>Compiling</b> 
      <ul>
       xmd2towhee may be compiled using the Utility Makefile.
       <ul>
        <dt>cd /towheebase/Utils</dt>
        <dt>make xmd2towhee</dt>
       </ul>
       This will create the xmd2towhee.x executable which can then be run from the command line.
      </ul>
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     <dt><b>Features</b> 
      <ul>
       When you run this program from the command line it will ask you for the name of an XMD format file to read in and it will output Towhee force
       field information to the file <b>towhee_eam</b>.  In order for this translation routine to function properly you must reorder the XMD files slightly.
       The data in the XMD file must first be the pair potential information, then the embedding, and finally the densities.
       <dt><b>Please enter a filename</b>
        <ul>The name of the XMD file you wish to translate into Towhee format.</ul>
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      </ul>
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     <a href="utility_summary.html">Return to the Utility Summary page</a> 
     <p>&nbsp;</p>
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  <i><font size="2">Send comments to:</font></i> <font size="2"> <a href="mailto:marcus_martin@users.sourceforge.net">Marcus G. Martin</a><br>
  <i>Last updated:</i> <!-- #BeginDate format:Am1 -->June 11, 2009<!-- #EndDate -->
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