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< title > angle_style command — LAMMPS documentation< / title >
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< li > angle_style command< / li >
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< span id = "index-0" > < / span > < h1 > angle_style command< a class = "headerlink" href = "#angle-style-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 > angle_style style
< / pre > < / div >
< / div >
< ul class = "simple" >
< li > style = < em > none< / em > or < em > hybrid< / em > or < em > charmm< / em > or < em > class2< / em > or < em > cosine< / em > or < em > cosine/squared< / em > or < em > harmonic< / em > < / 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 > angle_style harmonic
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angle_style charmm
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angle_style hybrid harmonic cosine
< / pre > < / div >
< / div >
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< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Set the formula(s) LAMMPS uses to compute angle interactions between
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triplets of atoms, which remain in force for the duration of the
simulation. The list of angle triplets is read in by a
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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 > command
from a data or restart file.< / p >
< p > Hybrid models where angles are computed using different angle
potentials can be setup using the < em > hybrid< / em > angle style.< / p >
< p > The coefficients associated with a angle style can be specified in a
data or restart file or via the < a class = "reference internal" href = "angle_coeff.html" > < em > angle_coeff< / em > < / a > command.< / p >
< p > All angle potentials store their coefficient data in binary restart
files which means angle_style and < a class = "reference internal" href = "angle_coeff.html" > < em > angle_coeff< / em > < / a >
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commands do not need to be re-specified in an input script that
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restarts a simulation. See the < a class = "reference internal" href = "read_restart.html" > < em > read_restart< / em > < / a >
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command for details on how to do this. The one exception is that
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angle_style < em > hybrid< / em > only stores the list of sub-styles in the restart
file; angle coefficients need to be re-specified.< / p >
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< div class = "admonition note" >
< p class = "first admonition-title" > Note< / p >
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< p class = "last" > When both an angle and pair style is defined, the
< a class = "reference internal" href = "special_bonds.html" > < em > special_bonds< / em > < / a > command often needs to be used to
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turn off (or weight) the pairwise interaction that would otherwise
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exist between 3 bonded atoms.< / p >
< / div >
< p > In the formulas listed for each angle style, < em > theta< / em > is the angle
between the 3 atoms in the angle.< / p >
< hr class = "docutils" / >
< p > Here is an alphabetic list of angle styles defined in LAMMPS. Click on
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the style to display the formula it computes and coefficients
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specified by the associated < a class = "reference internal" href = "angle_coeff.html" > < em > angle_coeff< / em > < / a > command.< / p >
< p > Note that there are also additional angle styles submitted by users
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which are included in the LAMMPS distribution. The list of these with
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links to the individual styles are given in the angle section of < a class = "reference internal" href = "Section_commands.html#cmd-5" > < span > this page< / span > < / a > .< / p >
< ul class = "simple" >
< li > < a class = "reference internal" href = "angle_none.html" > < em > angle_style none< / em > < / a > - turn off angle interactions< / li >
< li > < a class = "reference internal" href = "angle_hybrid.html" > < em > angle_style hybrid< / em > < / a > - define multiple styles of angle interactions< / li >
< li > < a class = "reference internal" href = "angle_charmm.html" > < em > angle_style charmm< / em > < / a > - CHARMM angle< / li >
< li > < a class = "reference internal" href = "angle_class2.html" > < em > angle_style class2< / em > < / a > - COMPASS (class 2) angle< / li >
< li > < a class = "reference internal" href = "angle_cosine.html" > < em > angle_style cosine< / em > < / a > - cosine angle potential< / li >
< li > < a class = "reference internal" href = "angle_cosine_delta.html" > < em > angle_style cosine/delta< / em > < / a > - difference of cosines angle potential< / li >
< li > < a class = "reference internal" href = "angle_cosine_periodic.html" > < em > angle_style cosine/periodic< / em > < / a > - DREIDING angle< / li >
< li > < a class = "reference internal" href = "angle_cosine_squared.html" > < em > angle_style cosine/squared< / em > < / a > - cosine squared angle potential< / li >
< li > < a class = "reference internal" href = "angle_harmonic.html" > < em > angle_style harmonic< / em > < / a > - harmonic angle< / li >
< li > < a class = "reference internal" href = "angle_table.html" > < em > angle_style table< / em > < / a > - tabulated by angle< / li >
< / ul >
< / div >
< hr class = "docutils" / >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Angle styles can only be set for atom_styles that allow angles to be
defined.< / p >
< p > Most angle styles are part of the MOLECULE package. They are only
enabled if 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 on packages.
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The doc pages for individual bond potentials tell if it is part of a
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package.< / 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 = "angle_coeff.html" > < em > angle_coeff< / em > < / a > < / p >
< / div >
< div class = "section" id = "default" >
< h2 > Default< a class = "headerlink" href = "#default" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > angle_style none
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