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<title>ATC: fix_modify AtC transfer fields</title>
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<h1><a class="anchor" name="man_hardy_fields">fix_modify AtC transfer fields</a></h1><h2><a class="anchor" name="syntax">
syntax</a></h2>
fix_modify AtC transfer fields &lt;all | none&gt; <br>
fix_modify AtC transfer fields &lt;add | delete&gt; &lt;list_of_fields&gt; <br>
<ul>
<li>all | none (keyword) = output all or no fields <br>
</li><li>add | delete (keyword) = add or delete the listed output fields <br>
</li><li>fields (keyword) = <br>
density : mass per unit volume <br>
displacement : displacement vector <br>
momentum : momentum per unit volume <br>
velocity : defined by momentum divided by density <br>
projected_velocity : simple kernel estimation of atomic velocities <br>
temperature : temperature derived from the relative atomic kinetic energy (as done by Hardy) <br>
kinetic_temperature : temperature derived from the full kinetic energy <br>
energy : total energy (potential + kinetic) per unit volume <br>
number_density : simple kernel estimation of number of atoms per unit volume <br>
stress : Cauchy stress tensor for eulerian analysis (atom_element_map), or 1st Piola-Kirchhoff stress tensor for lagrangian analysis <br>
transformed_stress : 1st Piola-Kirchhoff stress tensor for eulerian analysis (atom_element_map), or Cauchy stress tensor for lagrangian analysis <br>
heat_flux : spatial heat flux vector for eulerian, or referential heat flux vector for lagrangian <br>
</li></ul>
<h2><a class="anchor" name="examples">
examples</a></h2>
<code> fix_modify AtC transfer fields add velocity temperature </code> <h2><a class="anchor" name="description">
description</a></h2>
Allows modification of the fields calculated and output by the Hardy transfer class. The commands are cumulative, e.g.<br>
<code> fix_modify AtC transfer fields none </code> <br>
followed by <br>
<code> fix_modify AtC transfer fields add velocity temperature </code> <br>
will only output the velocity and temperature fields. <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>. Currently, the stress and heat flux formulas are only correct for central force potentials, e.g. Lennard-Jones and EAM but not Stillinger-Weber. <h2><a class="anchor" name="related">
related</a></h2>
See <a class="el" href="man_hardy_gradients.html">fix_modify AtC transfer gradients</a> , <a class="el" href="man_hardy_rates.html">fix_modify AtC transfer rates</a> and <a class="el" href="man_hardy_computes.html">fix_modify AtC transfer computes</a> <h2><a class="anchor" name="default">
default</a></h2>
All fields are output by default <hr size="1"><address style="align: right;"><small>Generated on Mon Aug 17 09:35:16 2009 for ATC by&nbsp;
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