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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / 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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< span id = "index-0" > < / span > < h1 > pair_style brownian command< a class = "headerlink" href = "#pair-style-brownian-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
< / div >
< div class = "section" id = "pair-style-brownian-omp-command" >
< h1 > pair_style brownian/omp command< a class = "headerlink" href = "#pair-style-brownian-omp-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
< / div >
< div class = "section" id = "pair-style-brownian-poly-command" >
< h1 > pair_style brownian/poly command< a class = "headerlink" href = "#pair-style-brownian-poly-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
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< div class = "section" id = "pair-style-brownian-poly-omp-command" >
< h1 > pair_style brownian/poly/omp command< a class = "headerlink" href = "#pair-style-brownian-poly-omp-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 > pair_style style mu flaglog flagfld cutinner cutoff t_target seed flagHI flagVF
< / pre > < / div >
< / div >
< ul class = "simple" >
< li > style = < em > brownian< / em > or < em > brownian/poly< / em > < / li >
< li > mu = dynamic viscosity (dynamic viscosity units)< / li >
< li > flaglog = 0/1 log terms in the lubrication approximation on/off< / li >
< li > flagfld = 0/1 to include/exclude Fast Lubrication Dynamics effects< / li >
< li > cutinner = inner cutoff distance (distance units)< / li >
< li > cutoff = outer cutoff for interactions (distance units)< / li >
< li > t_target = target temp of the system (temperature units)< / li >
< li > seed = seed for the random number generator (positive integer)< / li >
< li > flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions< / li >
< li > flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms< / li >
< / ul >
< / div >
< 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 > pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius = 1)
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pair_coeff 1 1 2.05 2.8
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pair_coeff * *
< / pre > < / div >
< / div >
< / div >
< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Styles < em > brownian< / em > and < em > brownain/poly< / em > compute Brownian forces and
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torques on finite-size particles. The former requires monodisperse
spherical particles; the latter allows for polydisperse spherical
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particles.< / p >
< p > These pair styles are designed to be used with either the < a class = "reference internal" href = "pair_lubricate.html" > < em > pair_style lubricate< / em > < / a > or < a class = "reference internal" href = "pair_lubricateU.html" > < em > pair_style lubricateU< / em > < / a > commands to provide thermostatting
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when dissipative lubrication forces are acting. Thus the parameters
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< em > mu< / em > , < em > flaglog< / em > , < em > flagfld< / em > , < em > cutinner< / em > , and < em > cutoff< / em > should be
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specified consistent with the settings in the lubrication pair styles.
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For details, refer to either of the lubrication pair styles.< / p >
< p > The < em > t_target< / em > setting is used to specify the target temperature of
the system. The random number < em > seed< / em > is used to generate random
numbers for the thermostatting procedure.< / p >
< p > The < em > flagHI< / em > and < em > flagVF< / em > settings are optional. Neither should be
used, or both must be defined.< / p >
< hr class = "docutils" / >
< p > The following coefficients must be defined for each pair of atoms
types via the < a class = "reference internal" href = "pair_coeff.html" > < em > pair_coeff< / em > < / a > command as in the examples
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above, or in the data file or restart files read by the
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< a class = "reference internal" href = "read_data.html" > < em > read_data< / em > < / a > or < a class = "reference internal" href = "read_restart.html" > < em > read_restart< / em > < / a >
commands, or by mixing as described below:< / p >
< ul class = "simple" >
< li > cutinner (distance units)< / li >
< li > cutoff (distance units)< / li >
< / ul >
< p > The two coefficients are optional. If neither is specified, the two
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cutoffs specified in the pair_style command are used. Otherwise both
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must be specified.< / p >
< hr class = "docutils" / >
< p > Styles with a < em > cuda< / em > , < em > gpu< / em > , < em > intel< / em > , < em > kk< / em > , < em > omp< / em > , or < em > opt< / em > suffix are
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functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
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hardware, as discussed in < a class = "reference internal" href = "Section_accelerate.html" > < em > this section< / em > < / a > of
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the manual. The accelerated styles take the same arguments and should
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produce the same results, except for round-off and precision issues.< / p >
< p > These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
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KOKKOS, USER-OMP and OPT packages, respectively. They are only
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enabled if LAMMPS was built with those packages. See the < a class = "reference internal" href = "Section_start.html#start-3" > < span > Making LAMMPS< / span > < / a > section for more info.< / p >
< p > You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the < a class = "reference internal" href = "Section_start.html#start-7" > < span > -suffix command-line switch< / span > < / a > when you invoke LAMMPS, or you can
use the < a class = "reference internal" href = "suffix.html" > < em > suffix< / em > < / a > command in your input script.< / p >
< p > See < a class = "reference internal" href = "Section_accelerate.html" > < em > this section< / em > < / a > of the manual for more
instructions on how to use the accelerated styles effectively.< / p >
< hr class = "docutils" / >
< p > < strong > Mixing, shift, table, tail correction, restart, rRESPA info< / strong > :< / p >
< p > For atom type pairs I,J and I != J, the two cutoff distances for this
pair style can be mixed. The default mix value is < em > geometric< / em > . See
the “ pair_modify” command for details.< / p >
< p > This pair style does not support the < a class = "reference internal" href = "pair_modify.html" > < em > pair_modify< / em > < / a >
shift option for the energy of the pair interaction.< / p >
< p > The < a class = "reference internal" href = "pair_modify.html" > < em > pair_modify< / em > < / a > table option is not relevant
for this pair style.< / p >
< p > This pair style does not support the < a class = "reference internal" href = "pair_modify.html" > < em > pair_modify< / em > < / a >
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tail option for adding long-range tail corrections to energy and
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pressure.< / p >
< p > This pair style writes its information to < a class = "reference internal" href = "restart.html" > < em > binary restart files< / em > < / a > , so pair_style and pair_coeff commands do not need
to be specified in an input script that reads a restart file.< / p >
< p > This pair style can only be used via the < em > pair< / em > keyword of the
< a class = "reference internal" href = "run_style.html" > < em > run_style respa< / em > < / a > command. It does not support the
< em > inner< / em > , < em > middle< / em > , < em > outer< / em > keywords.< / p >
< / div >
< hr class = "docutils" / >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > These styles are part of the FLD package. They are only enabled if
LAMMPS was built with that package. See the < span class = "xref std std-ref" > Making LAMMPS< / span > section for more info.< / p >
< p > Only spherical monodisperse particles are allowed for pair_style
brownian.< / p >
< p > Only spherical particles are allowed for pair_style brownian/poly.< / p >
< / div >
< div class = "section" id = "related-commands" >
< h2 > Related commands< a class = "headerlink" href = "#related-commands" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > < a class = "reference internal" href = "pair_coeff.html" > < em > pair_coeff< / em > < / a > , < a class = "reference internal" href = "pair_lubricate.html" > < em > pair_style lubricate< / em > < / a > , < a class = "reference internal" href = "pair_lubricateU.html" > < em > pair_style lubricateU< / em > < / a > < / p >
< / div >
< div class = "section" id = "default" >
< h2 > Default< a class = "headerlink" href = "#default" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > The default settings for the optional args are flagHI = 1 and flagVF =
1.< / p >
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