forked from lijiext/lammps
28 lines
1.7 KiB
HTML
28 lines
1.7 KiB
HTML
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
|
||
|
|
<html><head><meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
|
||
|
|
<title>ATC: fix_modify AtC set</title>
|
||
|
|
<link href="doxygen.css" rel="stylesheet" type="text/css">
|
||
|
|
</head><body>
|
||
|
|
<!-- Generated by Doxygen 1.3.9.1 -->
|
||
|
|
<h1><a class="anchor" name="man_hardy_set">fix_modify AtC set</a></h1><h2><a class="anchor" name="syntax">
|
||
|
|
syntax</a></h2>
|
||
|
|
fix_modify AtC transfer set reference_potential_energy <value><ul>
|
||
|
|
<li>value (double) : optional user specified zero point for PE </li></ul>
|
||
|
|
<h2><a class="anchor" name="examples">
|
||
|
|
examples</a></h2>
|
||
|
|
<code> fix_modify AtC transfer set reference_potential_energy </code> <br>
|
||
|
|
<code> fix_modify AtC transfer set reference_potential_energy -0.05 </code> <br>
|
||
|
|
<h2><a class="anchor" name="description">
|
||
|
|
description</a></h2>
|
||
|
|
Used to set various quantities for the post-processing algorithms. Currently it only sets the zero point for the potential energy density using the value provided for all nodes, or from the current configuration of the lattice if no value is provided <h2><a class="anchor" name="restrictions">
|
||
|
|
restrictions</a></h2>
|
||
|
|
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">
|
||
|
|
related</a></h2>
|
||
|
|
<h2><a class="anchor" name="default">
|
||
|
|
default</a></h2>
|
||
|
|
Defaults to lammps zero point i.e. isolated atoms <hr size="1"><address style="align: right;"><small>Generated on Mon Aug 17 09:35:16 2009 for ATC by
|
||
|
|
<a href="http://www.doxygen.org/index.html">
|
||
|
|
<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.3.9.1 </small></address>
|
||
|
|
</body>
|
||
|
|
</html>
|