forked from lijiext/lammps
35 lines
2.2 KiB
HTML
35 lines
2.2 KiB
HTML
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<html><head><meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
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<title>ATC: fix_modify AtC transfer on_the_fly</title>
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<link href="doxygen.css" rel="stylesheet" type="text/css">
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</head><body>
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<!-- Generated by Doxygen 1.3.9.1 -->
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<h1><a class="anchor" name="man_hardy_on_the_fly">fix_modify AtC transfer on_the_fly</a></h1><h2><a class="anchor" name="syntax">
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syntax</a></h2>
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fix_modify AtC transfer on_the_fly <bond | kernel> <optional on | off> <br>
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<ul>
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<li>bond | kernel (keyword) = specifies on-the-fly calculation of bond or kernel matrix elements <br>
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</li><li>on | off (keyword) = activate or discontinue on-the-fly mode <br>
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</li></ul>
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<h2><a class="anchor" name="examples">
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examples</a></h2>
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<code> fix_modify AtC transfer on_the_fly bond on </code> <br>
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<code> fix_modify AtC transfer on_the_fly kernel </code> <br>
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<code> fix_modify AtC transfer on_the_fly kernel off </code> <br>
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<h2><a class="anchor" name="description">
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description</a></h2>
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Overrides normal mode of pre-calculating and storing bond pair-to-node and kernel atom-to-node matrices. If activated, will calculate elements of these matrices during repeated calls of field computations (i.e. "on-the-fly") and not store them for future use. <br>
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on flag is optional - if omitted, on_the_fly will be activated for the specified matrix. Can be deactivated using off flag. <br>
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<h2><a class="anchor" name="restrictions">
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restrictions</a></h2>
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Must be used with the hardy AtC transfer ( see <a class="el" href="man_fix_atc.html">fix atc command</a> ) <h2><a class="anchor" name="related">
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related</a></h2>
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<h2><a class="anchor" name="default">
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default</a></h2>
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By default, on-the-fly calculation is not active (i.e. off). However, code does a memory allocation check to determine if it can store all needed bond and kernel matrix elements. If this allocation fails, on-the-fly is activated. <br>
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<hr size="1"><address style="align: right;"><small>Generated on Mon Aug 17 09:35:16 2009 for ATC by
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<a href="http://www.doxygen.org/index.html">
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<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.3.9.1 </small></address>
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</body>
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</html>
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