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<title>ATC: fix_modify AtC fields</title>
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<h1><a class="anchor" id="man_hardy_fields">fix_modify AtC fields </a></h1><h2><a class="anchor" id="syntax">
syntax</a></h2>
<p>fix_modify AtC fields &lt;all | none&gt; <br/>
fix_modify AtC fields &lt;add | delete&gt; &lt;list_of_fields&gt; <br/>
</p>
<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 ) <br/>
kinetic_temperature : temperature derived from the full kinetic energy <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/>
potential_energy : potential energy per unit volume <br/>
kinetic_energy : kinetic energy per unit volume <br/>
thermal_energy : thermal energy (kinetic energy - continuum kinetic energy) per unit volume <br/>
internal_energy : total internal energy (potential + thermal) per unit volume <br/>
energy : total energy (potential + kinetic) per unit volume <br/>
number_density : number of atoms per unit volume <br/>
eshelby_stress: configurational stress (energy-momentum) tensor defined by Eshelby [References: Philos. Trans. Royal Soc. London A, Math. Phys. Sci., Vol. 244, No. 877 (1951) pp. 87-112; J. Elasticity, Vol. 5, Nos. 3-4 (1975) pp. 321-335] <br/>
vacancy_concentration: volume fraction of vacancy content <br/>
type_concentration: volume fraction of a specific atom type <br/>
</li>
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<h2><a class="anchor" id="examples">
examples</a></h2>
<p><code> fix_modify AtC fields add velocity temperature </code> </p>
<h2><a class="anchor" id="description">
description</a></h2>
<p>Allows modification of the fields calculated and output by the transfer class. The commands are cumulative, e.g.<br/>
<code> fix_modify AtC fields none </code> <br/>
followed by <br/>
<code> fix_modify AtC fields add velocity temperature </code> <br/>
will only output the velocity and temperature fields. </p>
<h2><a class="anchor" id="restrictions">
restrictions</a></h2>
<p>Must be used with the hardy/field type of AtC fix, 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. </p>
<h2><a class="anchor" id="related">
related</a></h2>
<p>See <a class="el" href="man_hardy_gradients.html">fix_modify AtC gradients</a> , <a class="el" href="man_hardy_rates.html">fix_modify AtC rates</a> and <a class="el" href="man_hardy_computes.html">fix_modify AtC computes</a> </p>
<h2><a class="anchor" id="default">
default</a></h2>
<p>By default, no fields are output </p>
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