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< title > compute smd/vol command — LAMMPS documentation< / title >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_start.html" > 2. Getting Started< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_commands.html" > 3. Commands< / a > < / li >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_accelerate.html" > 5. Accelerating LAMMPS performance< / a > < / li >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_tools.html" > 9. Additional tools< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_modify.html" > 10. Modifying & extending LAMMPS< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_python.html" > 11. Python interface to LAMMPS< / a > < / li >
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< li > compute smd/vol command< / li >
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< a href = "http://lammps.sandia.gov" > Website< / a >
< a href = "Section_commands.html#comm" > Commands< / a >
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< div class = "section" id = "compute-smd-vol-command" >
< span id = "index-0" > < / span > < h1 > compute smd/vol command< a class = "headerlink" href = "#compute-smd-vol-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< a class = "headerlink" href = "#syntax" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > compute ID group-ID smd/vol
< / pre > < / div >
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< ul class = "simple" >
< li > ID, group-ID are documented in < a class = "reference internal" href = "compute.html" > < em > compute< / em > < / a > command< / li >
< li > smd/vol = style name of this compute command< / li >
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< div class = "section" id = "examples" >
< h2 > Examples< a class = "headerlink" href = "#examples" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > compute 1 all smd/vol
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< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
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< p > Define a computation that provides the per-particle volume and the sum
of the per-particle volumes of the group for which the fix is defined.< / p >
< p > See < a class = "reference external" href = "USER/smd/SMD_LAMMPS_userguide.pdf" > this PDF guide< / a > to using Smooth
Mach Dynamics in LAMMPS.< / p >
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< p > < strong > Output info:< / strong > < / p >
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< p > This compute calculates a per-particle vector, which can be accessed
by any command that uses per-particle values from a compute as input.
See < a class = "reference internal" href = "Section_howto.html#howto-15" > < span > How-to discussions, section 6.15< / span > < / a > for
an overview of LAMMPS output options.< / p >
< p > The per-particle vector values will be given in < a class = "reference internal" href = "units.html" > < em > units< / em > < / a > of
volume.< / p >
< p > Additionally, the compute returns a scalar, which is the sum of the
per-particle volumes of the group for which the fix is defined.< / p >
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< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > This compute is part of the USER-SMD package. It is only enabled if
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LAMMPS was built with that package. See the < a class = "reference internal" href = "Section_start.html#start-3" > < span > Making LAMMPS< / span > < / a > section for more info.< / p >
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< div class = "section" id = "related-commands" >
< h2 > Related commands< a class = "headerlink" href = "#related-commands" title = "Permalink to this headline" > ¶< / a > < / h2 >
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< p > < a class = "reference internal" href = "compute_smd_rho.html" > < em > compute smd/rho< / em > < / a > < / p >
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< p > < strong > Default:< / strong > none< / p >
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© Copyright 2013 Sandia Corporation.
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