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62 lines
2.7 KiB
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62 lines
2.7 KiB
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<title>ATC: fix_modify AtC atom_weight</title>
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<h1><a class="anchor" id="man_atom_weight">fix_modify AtC atom_weight </a></h1><h2><a class="anchor" id="syntax">
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syntax</a></h2>
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<p>fix_modify AtC atom_weight <method> <arguments></p>
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<ul>
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<li><method> = <br/>
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value: atoms in specified group assigned constant value given <br/>
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lattice: volume per atom for specified lattice type (e.g. fcc) and parameter <br/>
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element: element volume divided among atoms within element <br/>
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region: volume per atom determined based on the atom count in the MD regions and their volumes. Note: meaningful only if atoms completely fill all the regions. <br/>
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group: volume per atom determined based on the atom count in a group and its volume<br/>
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read_in: list of values for atoms are read-in from specified file <br/>
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</li>
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</ul>
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<h2><a class="anchor" id="examples">
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examples</a></h2>
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<p><code> fix_modify atc atom_weight constant myatoms 11.8 </code> <br/>
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<code> fix_modify atc atom_weight lattice </code> <br/>
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<code> fix_modify atc atom_weight read-in atm_wt_file.txt </code> <br/>
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</p>
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<h2><a class="anchor" id="description">
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description</a></h2>
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<p>Command for assigning the value of atomic weights used for atomic integration in atom-continuum coupled simulations. </p>
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<h2><a class="anchor" id="restrictions">
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restrictions</a></h2>
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<p>Use of lattice option requires a lattice type and parameter is already specified. </p>
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related</a></h2>
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default</a></h2>
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<p>lattice </p>
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<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>
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