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<div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (unitcell)</font></b> </font> </div>
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<dt><b>Overview</b>
<ul>
This section explains the unitcell Towhee utility program. This program is used to take a towhee_coords file and duplicate it any number of times
in the x, y, and z dimensions in order to perform a larger simulation.
</ul>
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<dt><b>Compiling</b>
<ul>
unitcell may be compiled using the Utility Makefile
<ul>
<dt>cd /towheebase/Utils</dt>
<dt>make unitcell</dt>
</ul>
This will create the unitcell.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 a number of questions about the towhee_coords file that you wish to duplicate.
Those questions and a discussion of the available options are listed here. The input file is <b>towhee_coords</b> and the output file is
<b>towhee_newcoords</b>.
<dt><b>Enter the original unit cell x-dimension (double precision)</b>
<ul>The length of the box in the x-dimension in the original unit cell.</ul>
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<dt><b>Enter the original unit cell y-dimension (double precision)</b>
<ul>The length of the box in the y-dimension in the original unit cell.</ul>
</dt>
<dt><b>Enter the original unit cell z-dimension (double precision)</b>
<ul>The length of the box in the z-dimension in the original unit cell.</ul>
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<dt><b>Enter the number of atoms in the original unit cell (integer)</b>
<ul>The number of atoms in the original <b>towhee_coords</b> file.</ul>
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<dt><b>Enter the number of new duplicates in the x-dimension (integer)</b>
<ul>The number of times to reproduce this unit cell in the x-dimension.</ul>
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<dt><b>Enter the number of new duplicates in the y-dimension (integer)</b>
<ul>The number of times to reproduce this unit cell in the y-dimension.</ul>
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<dt><b>Enter the number of new duplicates in the z-dimension (integer)</b>
<ul>The number of times to reproduce this unit cell in the z-dimension.</ul>
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<a href="utility_summary.html">Return to the Utility Summary page</a>
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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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