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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 current"><a class="current reference internal" href="">3. Commands</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#lammps-input-script">3.1. LAMMPS input script</a></li>
<li class="toctree-l2"><a class="reference internal" href="#parsing-rules">3.2. Parsing rules</a></li>
<li class="toctree-l2"><a class="reference internal" href="#input-script-structure">3.3. Input script structure</a></li>
<li class="toctree-l2"><a class="reference internal" href="#commands-listed-by-category">3.4. Commands listed by category</a></li>
<li class="toctree-l2"><a class="reference internal" href="#individual-commands">3.5. Individual commands</a></li>
<li class="toctree-l2"><a class="reference internal" href="#fix-styles">3.6. Fix styles</a></li>
<li class="toctree-l2"><a class="reference internal" href="#compute-styles">3.7. Compute styles</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-potentials">3.8. Pair_style potentials</a></li>
<li class="toctree-l2"><a class="reference internal" href="#bond-style-potentials">3.9. Bond_style potentials</a></li>
<li class="toctree-l2"><a class="reference internal" href="#angle-style-potentials">3.10. Angle_style potentials</a></li>
<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-potentials">3.11. Dihedral_style potentials</a></li>
<li class="toctree-l2"><a class="reference internal" href="#improper-style-potentials">3.12. Improper_style potentials</a></li>
<li class="toctree-l2"><a class="reference internal" href="#kspace-solvers">3.13. Kspace solvers</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying &amp; extending LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
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<div class="section" id="commands">
<h1>3. Commands<a class="headerlink" href="#commands" title="Permalink to this headline"></a></h1>
<p>This section describes how a LAMMPS input script is formatted and the
input script commands used to define a LAMMPS simulation.</p>
<div class="line-block">
<div class="line">3.1 <a class="reference internal" href="#cmd-1"><span>LAMMPS input script</span></a></div>
<div class="line">3.2 <a class="reference internal" href="#cmd-2"><span>Parsing rules</span></a></div>
<div class="line">3.3 <a class="reference internal" href="#cmd-3"><span>Input script structure</span></a></div>
<div class="line">3.4 <a class="reference internal" href="#cmd-4"><span>Commands listed by category</span></a></div>
<div class="line">3.5 <a class="reference internal" href="#cmd-5"><span>Commands listed alphabetically</span></a></div>
<div class="line"><br /></div>
</div>
<div class="section" id="lammps-input-script">
<span id="cmd-1"></span><h2>3.1. LAMMPS input script<a class="headerlink" href="#lammps-input-script" title="Permalink to this headline"></a></h2>
<p>LAMMPS executes by reading commands from a input script (text file),
one line at a time. When the input script ends, LAMMPS exits. Each
command causes LAMMPS to take some action. It may set an internal
variable, read in a file, or run a simulation. Most commands have
default settings, which means you only need to use the command if you
wish to change the default.</p>
<p>In many cases, the ordering of commands in an input script is not
important. However the following rules apply:</p>
<p>(1) LAMMPS does not read your entire input script and then perform a
simulation with all the settings. Rather, the input script is read
one line at a time and each command takes effect when it is read.
Thus this sequence of commands:</p>
<div class="highlight-python"><div class="highlight"><pre>timestep 0.5
run 100
run 100
</pre></div>
</div>
<p>does something different than this sequence:</p>
<div class="highlight-python"><div class="highlight"><pre>run 100
timestep 0.5
run 100
</pre></div>
</div>
<p>In the first case, the specified timestep (0.5 fmsec) is used for two
simulations of 100 timesteps each. In the 2nd case, the default
timestep (1.0 fmsec) is used for the 1st 100 step simulation and a 0.5
fmsec timestep is used for the 2nd one.</p>
<p>(2) Some commands are only valid when they follow other commands. For
example you cannot set the temperature of a group of atoms until atoms
have been defined and a group command is used to define which atoms
belong to the group.</p>
<p>(3) Sometimes command B will use values that can be set by command A.
This means command A must precede command B in the input script if it
is to have the desired effect. For example, the
<a class="reference internal" href="read_data.html"><em>read_data</em></a> command initializes the system by setting
up the simulation box and assigning atoms to processors. If default
values are not desired, the <a class="reference internal" href="processors.html"><em>processors</em></a> and
<a class="reference internal" href="boundary.html"><em>boundary</em></a> commands need to be used before read_data to
tell LAMMPS how to map processors to the simulation box.</p>
<p>Many input script errors are detected by LAMMPS and an ERROR or
WARNING message is printed. <a class="reference internal" href="Section_errors.html"><em>This section</em></a> gives
more information on what errors mean. The documentation for each
command lists restrictions on how the command can be used.</p>
<hr class="docutils" />
</div>
<div class="section" id="parsing-rules">
<span id="cmd-2"></span><h2>3.2. Parsing rules<a class="headerlink" href="#parsing-rules" title="Permalink to this headline"></a></h2>
<p>Each non-blank line in the input script is treated as a command.
LAMMPS commands are case sensitive. Command names are lower-case, as
are specified command arguments. Upper case letters may be used in
file names or user-chosen ID strings.</p>
<p>Here is how each line in the input script is parsed by LAMMPS:</p>
<p>(1) If the last printable character on the line is a &#8220;&amp;&#8221; character,
the command is assumed to continue on the next line. The next line is
concatenated to the previous line by removing the &#8220;&amp;&#8221; character and
line break. This allows long commands to be continued across two or
more lines. See the discussion of triple quotes in (6) for how to
continue a command across multiple line without using &#8220;&amp;&#8221; characters.</p>
<p>(2) All characters from the first &#8220;#&#8221; character onward are treated as
comment and discarded. See an exception in (6). Note that a
comment after a trailing &#8220;&amp;&#8221; character will prevent the command from
continuing on the next line. Also note that for multi-line commands a
single leading &#8220;#&#8221; will comment out the entire command.</p>
<p>(3) The line is searched repeatedly for $ characters, which indicate
variables that are replaced with a text string. See an exception in
(6).</p>
<p>If the $ is followed by curly brackets, then the variable name is the
text inside the curly brackets. If no curly brackets follow the $,
then the variable name is the single character immediately following
the $. Thus ${myTemp} and $x refer to variable names &#8220;myTemp&#8221; and
&#8220;x&#8221;.</p>
<p>How the variable is converted to a text string depends on what style
of variable it is; see the <a class="reference external" href="variable">variable</a> doc page for details.
It can be a variable that stores multiple text strings, and return one
of them. The returned text string can be multiple &#8220;words&#8221; (space
separated) which will then be interpreted as multiple arguments in the
input command. The variable can also store a numeric formula which
will be evaluated and its numeric result returned as a string.</p>
<p>As a special case, if the $ is followed by parenthesis, then the text
inside the parenthesis is treated as an &#8220;immediate&#8221; variable and
evaluated as an <a class="reference internal" href="variable.html"><em>equal-style variable</em></a>. This is a way
to use numeric formulas in an input script without having to assign
them to variable names. For example, these 3 input script lines:</p>
<div class="highlight-python"><div class="highlight"><pre>variable X equal (xlo+xhi)/2+sqrt(v_area)
region 1 block $X 2 INF INF EDGE EDGE
variable X delete
</pre></div>
</div>
<p>can be replaced by</p>
<div class="highlight-python"><div class="highlight"><pre>region 1 block $((xlo+xhi)/2+sqrt(v_area)) 2 INF INF EDGE EDGE
</pre></div>
</div>
<p>so that you do not have to define (or discard) a temporary variable X.</p>
<p>Note that neither the curly-bracket or immediate form of variables can
contain nested $ characters for other variables to substitute for.
Thus you cannot do this:</p>
<div class="highlight-python"><div class="highlight"><pre>variable a equal 2
variable b2 equal 4
print &quot;B2 = ${b$a}&quot;
</pre></div>
</div>
<p>Nor can you specify this $($x-1.0) for an immediate variable, but
you could use $(v_x-1.0), since the latter is valid syntax for an
<a class="reference internal" href="variable.html"><em>equal-style variable</em></a>.</p>
<p>See the <a class="reference internal" href="variable.html"><em>variable</em></a> command for more details of how
strings are assigned to variables and evaluated, and how they can be
used in input script commands.</p>
<p>(4) The line is broken into &#8220;words&#8221; separated by whitespace (tabs,
spaces). Note that words can thus contain letters, digits,
underscores, or punctuation characters.</p>
<p>(5) The first word is the command name. All successive words in the
line are arguments.</p>
<p>(6) If you want text with spaces to be treated as a single argument,
it can be enclosed in either single or double or triple quotes. A
long single argument enclosed in single or double quotes can span
multiple lines if the &#8220;&amp;&#8221; character is used, as described above. When
the lines are concatenated together (and the &#8220;&amp;&#8221; characters and line
breaks removed), the text will become a single line. If you want
multiple lines of an argument to retain their line breaks, the text
can be enclosed in triple quotes, in which case &#8220;&amp;&#8221; characters are not
needed. For example:</p>
<div class="highlight-python"><div class="highlight"><pre>print &quot;Volume = $v&quot;
print &#39;Volume = $v&#39;
if &quot;${steps} &gt; 1000&quot; then quit
variable a string &quot;red green blue &amp;
purple orange cyan&quot;
print &quot;&quot;&quot;
System volume = $v
System temperature = $t
&quot;&quot;&quot;
</pre></div>
</div>
<p>In each case, the single, double, or triple quotes are removed when
the single argument they enclose is stored internally.</p>
<p>See the <a class="reference internal" href="dump_modify.html"><em>dump modify format</em></a>, <a class="reference internal" href="print.html"><em>print</em></a>,
<a class="reference internal" href="if.html"><em>if</em></a>, and <a class="reference internal" href="python.html"><em>python</em></a> commands for examples.</p>
<p>A &#8220;#&#8221; or &#8220;$&#8221; character that is between quotes will not be treated as a
comment indicator in (2) or substituted for as a variable in (3).</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">If the argument is itself a command that requires a
quoted argument (e.g. using a <a class="reference internal" href="print.html"><em>print</em></a> command as part of an
<a class="reference internal" href="if.html"><em>if</em></a> or <a class="reference internal" href="run.html"><em>run every</em></a> command), then single, double, or
triple quotes can be nested in the usual manner. See the doc pages
for those commands for examples. Only one of level of nesting is
allowed, but that should be sufficient for most use cases.</p>
</div>
<hr class="docutils" />
</div>
<div class="section" id="input-script-structure">
<span id="cmd-3"></span><h2>3.3. Input script structure<a class="headerlink" href="#input-script-structure" title="Permalink to this headline"></a></h2>
<p>This section describes the structure of a typical LAMMPS input script.
The &#8220;examples&#8221; directory in the LAMMPS distribution contains many
sample input scripts; the corresponding problems are discussed in
<a class="reference internal" href="Section_example.html"><em>Section_example</em></a>, and animated on the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
<p>A LAMMPS input script typically has 4 parts:</p>
<ol class="arabic simple">
<li>Initialization</li>
<li>Atom definition</li>
<li>Settings</li>
<li>Run a simulation</li>
</ol>
<p>The last 2 parts can be repeated as many times as desired. I.e. run a
simulation, change some settings, run some more, etc. Each of the 4
parts is now described in more detail. Remember that almost all the
commands need only be used if a non-default value is desired.</p>
<ol class="arabic simple">
<li>Initialization</li>
</ol>
<p>Set parameters that need to be defined before atoms are created or
read-in from a file.</p>
<p>The relevant commands are <a class="reference internal" href="units.html"><em>units</em></a>,
<a class="reference internal" href="dimension.html"><em>dimension</em></a>, <a class="reference internal" href="newton.html"><em>newton</em></a>,
<a class="reference internal" href="processors.html"><em>processors</em></a>, <a class="reference internal" href="boundary.html"><em>boundary</em></a>,
<a class="reference internal" href="atom_style.html"><em>atom_style</em></a>, <a class="reference internal" href="atom_modify.html"><em>atom_modify</em></a>.</p>
<p>If force-field parameters appear in the files that will be read, these
commands tell LAMMPS what kinds of force fields are being used:
<a class="reference internal" href="pair_style.html"><em>pair_style</em></a>, <a class="reference internal" href="bond_style.html"><em>bond_style</em></a>,
<a class="reference internal" href="angle_style.html"><em>angle_style</em></a>, <a class="reference internal" href="dihedral_style.html"><em>dihedral_style</em></a>,
<a class="reference internal" href="improper_style.html"><em>improper_style</em></a>.</p>
<ol class="arabic simple" start="2">
<li>Atom definition</li>
</ol>
<p>There are 3 ways to define atoms in LAMMPS. Read them in from a data
or restart file via the <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. These files can contain
molecular topology information. Or create atoms on a lattice (with no
molecular topology), using these commands: <a class="reference internal" href="lattice.html"><em>lattice</em></a>,
<a class="reference internal" href="region.html"><em>region</em></a>, <a class="reference internal" href="create_box.html"><em>create_box</em></a>,
<a class="reference internal" href="create_atoms.html"><em>create_atoms</em></a>. The entire set of atoms can be
duplicated to make a larger simulation using the
<a class="reference internal" href="replicate.html"><em>replicate</em></a> command.</p>
<ol class="arabic simple" start="3">
<li>Settings</li>
</ol>
<p>Once atoms and molecular topology are defined, a variety of settings
can be specified: force field coefficients, simulation parameters,
output options, etc.</p>
<p>Force field coefficients are set by these commands (they can also be
set in the read-in files): <a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a>,
<a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>, <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a>,
<a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a>,
<a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a>,
<a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a>, <a class="reference internal" href="dielectric.html"><em>dielectric</em></a>,
<a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a>.</p>
<p>Various simulation parameters are set by these commands:
<a class="reference internal" href="neighbor.html"><em>neighbor</em></a>, <a class="reference internal" href="neigh_modify.html"><em>neigh_modify</em></a>,
<a class="reference internal" href="group.html"><em>group</em></a>, <a class="reference internal" href="timestep.html"><em>timestep</em></a>,
<a class="reference internal" href="reset_timestep.html"><em>reset_timestep</em></a>, <a class="reference internal" href="run_style.html"><em>run_style</em></a>,
<a class="reference internal" href="min_style.html"><em>min_style</em></a>, <a class="reference internal" href="min_modify.html"><em>min_modify</em></a>.</p>
<p>Fixes impose a variety of boundary conditions, time integration, and
diagnostic options. The <a class="reference internal" href="fix.html"><em>fix</em></a> command comes in many flavors.</p>
<p>Various computations can be specified for execution during a
simulation using the <a class="reference internal" href="compute.html"><em>compute</em></a>,
<a class="reference internal" href="compute_modify.html"><em>compute_modify</em></a>, and <a class="reference internal" href="variable.html"><em>variable</em></a>
commands.</p>
<p>Output options are set by the <a class="reference internal" href="thermo.html"><em>thermo</em></a>, <a class="reference internal" href="dump.html"><em>dump</em></a>,
and <a class="reference internal" href="restart.html"><em>restart</em></a> commands.</p>
<ol class="arabic simple" start="4">
<li>Run a simulation</li>
</ol>
<p>A molecular dynamics simulation is run using the <a class="reference internal" href="run.html"><em>run</em></a>
command. Energy minimization (molecular statics) is performed using
the <a class="reference internal" href="minimize.html"><em>minimize</em></a> command. A parallel tempering
(replica-exchange) simulation can be run using the
<a class="reference internal" href="temper.html"><em>temper</em></a> command.</p>
<hr class="docutils" />
</div>
<div class="section" id="commands-listed-by-category">
<span id="cmd-4"></span><h2>3.4. Commands listed by category<a class="headerlink" href="#commands-listed-by-category" title="Permalink to this headline"></a></h2>
<p>This section lists all LAMMPS commands, grouped by category. The
<a class="reference internal" href="#cmd-5"><span>next section</span></a> lists the same commands alphabetically. Note
that some style options for some commands are part of specific LAMMPS
packages, which means they cannot be used unless the package was
included when LAMMPS was built. Not all packages are included in a
default LAMMPS build. These dependencies are listed as Restrictions
in the command&#8217;s documentation.</p>
<p>Initialization:</p>
<p><a class="reference internal" href="atom_modify.html"><em>atom_modify</em></a>, <a class="reference internal" href="atom_style.html"><em>atom_style</em></a>,
<a class="reference internal" href="boundary.html"><em>boundary</em></a>, <a class="reference internal" href="dimension.html"><em>dimension</em></a>,
<a class="reference internal" href="newton.html"><em>newton</em></a>, <a class="reference internal" href="processors.html"><em>processors</em></a>, <a class="reference internal" href="units.html"><em>units</em></a></p>
<p>Atom definition:</p>
<p><a class="reference internal" href="create_atoms.html"><em>create_atoms</em></a>, <a class="reference internal" href="create_box.html"><em>create_box</em></a>,
<a class="reference internal" href="lattice.html"><em>lattice</em></a>, <a class="reference internal" href="read_data.html"><em>read_data</em></a>,
<a class="reference internal" href="read_dump.html"><em>read_dump</em></a>, <a class="reference internal" href="read_restart.html"><em>read_restart</em></a>,
<a class="reference internal" href="region.html"><em>region</em></a>, <a class="reference internal" href="replicate.html"><em>replicate</em></a></p>
<p>Force fields:</p>
<p><a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a>, <a class="reference internal" href="angle_style.html"><em>angle_style</em></a>,
<a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>, <a class="reference internal" href="bond_style.html"><em>bond_style</em></a>,
<a class="reference internal" href="dielectric.html"><em>dielectric</em></a>, <a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a>,
<a class="reference internal" href="dihedral_style.html"><em>dihedral_style</em></a>,
<a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a>,
<a class="reference internal" href="improper_style.html"><em>improper_style</em></a>,
<a class="reference internal" href="kspace_modify.html"><em>kspace_modify</em></a>, <a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a>,
<a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a>, <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a>,
<a class="reference internal" href="pair_style.html"><em>pair_style</em></a>, <a class="reference internal" href="pair_write.html"><em>pair_write</em></a>,
<a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a></p>
<p>Settings:</p>
<p><a class="reference internal" href="comm_style.html"><em>comm_style</em></a>, <a class="reference internal" href="group.html"><em>group</em></a>, <a class="reference internal" href="mass.html"><em>mass</em></a>,
<a class="reference internal" href="min_modify.html"><em>min_modify</em></a>, <a class="reference internal" href="min_style.html"><em>min_style</em></a>,
<a class="reference internal" href="neigh_modify.html"><em>neigh_modify</em></a>, <a class="reference internal" href="neighbor.html"><em>neighbor</em></a>,
<a class="reference internal" href="reset_timestep.html"><em>reset_timestep</em></a>, <a class="reference internal" href="run_style.html"><em>run_style</em></a>,
<a class="reference internal" href="set.html"><em>set</em></a>, <a class="reference internal" href="timestep.html"><em>timestep</em></a>, <a class="reference internal" href="velocity.html"><em>velocity</em></a></p>
<p>Fixes:</p>
<p><a class="reference internal" href="fix.html"><em>fix</em></a>, <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a>, <a class="reference internal" href="unfix.html"><em>unfix</em></a></p>
<p>Computes:</p>
<p><a class="reference internal" href="compute.html"><em>compute</em></a>, <a class="reference internal" href="compute_modify.html"><em>compute_modify</em></a>,
<a class="reference internal" href="uncompute.html"><em>uncompute</em></a></p>
<p>Output:</p>
<p><a class="reference internal" href="dump.html"><em>dump</em></a>, <a class="reference internal" href="dump_image.html"><em>dump image</em></a>,
<a class="reference internal" href="dump_modify.html"><em>dump_modify</em></a>, <a class="reference internal" href="dump_image.html"><em>dump movie</em></a>,
<a class="reference internal" href="restart.html"><em>restart</em></a>, <a class="reference internal" href="thermo.html"><em>thermo</em></a>,
<a class="reference internal" href="thermo_modify.html"><em>thermo_modify</em></a>, <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a>,
<a class="reference internal" href="undump.html"><em>undump</em></a>, <a class="reference internal" href="write_data.html"><em>write_data</em></a>,
<a class="reference internal" href="write_dump.html"><em>write_dump</em></a>, <a class="reference internal" href="write_restart.html"><em>write_restart</em></a></p>
<p>Actions:</p>
<p><a class="reference internal" href="delete_atoms.html"><em>delete_atoms</em></a>, <a class="reference internal" href="delete_bonds.html"><em>delete_bonds</em></a>,
<a class="reference internal" href="displace_atoms.html"><em>displace_atoms</em></a>, <a class="reference internal" href="change_box.html"><em>change_box</em></a>,
<a class="reference internal" href="minimize.html"><em>minimize</em></a>, <a class="reference internal" href="neb.html"><em>neb</em></a> <a class="reference internal" href="prd.html"><em>prd</em></a>,
<a class="reference internal" href="rerun.html"><em>rerun</em></a>, <a class="reference internal" href="run.html"><em>run</em></a>, <a class="reference internal" href="temper.html"><em>temper</em></a></p>
<p>Miscellaneous:</p>
<p><a class="reference internal" href="clear.html"><em>clear</em></a>, <a class="reference internal" href="echo.html"><em>echo</em></a>, <a class="reference internal" href="if.html"><em>if</em></a>,
<a class="reference internal" href="include.html"><em>include</em></a>, <a class="reference internal" href="jump.html"><em>jump</em></a>, <a class="reference internal" href="label.html"><em>label</em></a>,
<a class="reference internal" href="log.html"><em>log</em></a>, <a class="reference internal" href="next.html"><em>next</em></a>, <a class="reference internal" href="print.html"><em>print</em></a>,
<a class="reference internal" href="shell.html"><em>shell</em></a>, <a class="reference internal" href="variable.html"><em>variable</em></a></p>
<hr class="docutils" />
</div>
<div class="section" id="individual-commands">
<span id="comm"></span><span id="cmd-5"></span><h2>3.5. Individual commands<a class="headerlink" href="#individual-commands" title="Permalink to this headline"></a></h2>
<p>This section lists all LAMMPS commands alphabetically, with a separate
listing below of styles within certain commands. The <a class="reference internal" href="#cmd-4"><span>previous section</span></a> lists the same commands, grouped by category. Note
that some style options for some commands are part of specific LAMMPS
packages, which means they cannot be used unless the package was
included when LAMMPS was built. Not all packages are included in a
default LAMMPS build. These dependencies are listed as Restrictions
in the command&#8217;s documentation.</p>
<table border="1" class="docutils">
<colgroup>
<col width="17%" />
<col width="15%" />
<col width="17%" />
<col width="17%" />
<col width="17%" />
<col width="17%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a></td>
<td><a class="reference internal" href="angle_style.html"><em>angle_style</em></a></td>
<td><a class="reference internal" href="atom_modify.html"><em>atom_modify</em></a></td>
<td><a class="reference internal" href="atom_style.html"><em>atom_style</em></a></td>
<td><a class="reference internal" href="balance.html"><em>balance</em></a></td>
<td><a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="bond_style.html"><em>bond_style</em></a></td>
<td><a class="reference internal" href="boundary.html"><em>boundary</em></a></td>
<td><a class="reference internal" href="box.html"><em>box</em></a></td>
<td><a class="reference internal" href="change_box.html"><em>change_box</em></a></td>
<td><a class="reference internal" href="clear.html"><em>clear</em></a></td>
<td><a class="reference internal" href="comm_modify.html"><em>comm_modify</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="comm_style.html"><em>comm_style</em></a></td>
<td><a class="reference internal" href="compute.html"><em>compute</em></a></td>
<td><a class="reference internal" href="compute_modify.html"><em>compute_modify</em></a></td>
<td><a class="reference internal" href="create_atoms.html"><em>create_atoms</em></a></td>
<td><a class="reference internal" href="create_bonds.html"><em>create_bonds</em></a></td>
<td><a class="reference internal" href="create_box.html"><em>create_box</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="delete_atoms.html"><em>delete_atoms</em></a></td>
<td><a class="reference internal" href="delete_bonds.html"><em>delete_bonds</em></a></td>
<td><a class="reference internal" href="dielectric.html"><em>dielectric</em></a></td>
<td><a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a></td>
<td><a class="reference internal" href="dihedral_style.html"><em>dihedral_style</em></a></td>
<td><a class="reference internal" href="dimension.html"><em>dimension</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="displace_atoms.html"><em>displace_atoms</em></a></td>
<td><a class="reference internal" href="dump.html"><em>dump</em></a></td>
<td><a class="reference internal" href="dump_image.html"><em>dump image</em></a></td>
<td><a class="reference internal" href="dump_modify.html"><em>dump_modify</em></a></td>
<td><a class="reference internal" href="dump_image.html"><em>dump movie</em></a></td>
<td><a class="reference internal" href="echo.html"><em>echo</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix.html"><em>fix</em></a></td>
<td><a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a></td>
<td><a class="reference internal" href="group.html"><em>group</em></a></td>
<td><a class="reference internal" href="if.html"><em>if</em></a></td>
<td><a class="reference internal" href="info.html"><em>info</em></a></td>
<td><a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="improper_style.html"><em>improper_style</em></a></td>
<td><a class="reference internal" href="include.html"><em>include</em></a></td>
<td><a class="reference internal" href="jump.html"><em>jump</em></a></td>
<td><a class="reference internal" href="kspace_modify.html"><em>kspace_modify</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a></td>
<td><a class="reference internal" href="label.html"><em>label</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="lattice.html"><em>lattice</em></a></td>
<td><a class="reference internal" href="log.html"><em>log</em></a></td>
<td><a class="reference internal" href="mass.html"><em>mass</em></a></td>
<td><a class="reference internal" href="minimize.html"><em>minimize</em></a></td>
<td><a class="reference internal" href="min_modify.html"><em>min_modify</em></a></td>
<td><a class="reference internal" href="min_style.html"><em>min_style</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="molecule.html"><em>molecule</em></a></td>
<td><a class="reference internal" href="neb.html"><em>neb</em></a></td>
<td><a class="reference internal" href="neigh_modify.html"><em>neigh_modify</em></a></td>
<td><a class="reference internal" href="neighbor.html"><em>neighbor</em></a></td>
<td><a class="reference internal" href="newton.html"><em>newton</em></a></td>
<td><a class="reference internal" href="next.html"><em>next</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="package.html"><em>package</em></a></td>
<td><a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a></td>
<td><a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a></td>
<td><a class="reference internal" href="pair_style.html"><em>pair_style</em></a></td>
<td><a class="reference internal" href="pair_write.html"><em>pair_write</em></a></td>
<td><a class="reference internal" href="partition.html"><em>partition</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="prd.html"><em>prd</em></a></td>
<td><a class="reference internal" href="print.html"><em>print</em></a></td>
<td><a class="reference internal" href="processors.html"><em>processors</em></a></td>
<td><a class="reference internal" href="python.html"><em>python</em></a></td>
<td><a class="reference internal" href="quit.html"><em>quit</em></a></td>
<td><a class="reference internal" href="read_data.html"><em>read_data</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="read_dump.html"><em>read_dump</em></a></td>
<td><a class="reference internal" href="read_restart.html"><em>read_restart</em></a></td>
<td><a class="reference internal" href="region.html"><em>region</em></a></td>
<td><a class="reference internal" href="replicate.html"><em>replicate</em></a></td>
<td><a class="reference internal" href="rerun.html"><em>rerun</em></a></td>
<td><a class="reference internal" href="reset_timestep.html"><em>reset_timestep</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="restart.html"><em>restart</em></a></td>
<td><a class="reference internal" href="run.html"><em>run</em></a></td>
<td><a class="reference internal" href="run_style.html"><em>run_style</em></a></td>
<td><a class="reference internal" href="set.html"><em>set</em></a></td>
<td><a class="reference internal" href="shell.html"><em>shell</em></a></td>
<td><a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="suffix.html"><em>suffix</em></a></td>
<td><a class="reference internal" href="tad.html"><em>tad</em></a></td>
<td><a class="reference internal" href="temper.html"><em>temper</em></a></td>
<td><a class="reference internal" href="thermo.html"><em>thermo</em></a></td>
<td><a class="reference internal" href="thermo_modify.html"><em>thermo_modify</em></a></td>
<td><a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="timestep.html"><em>timestep</em></a></td>
<td><a class="reference internal" href="uncompute.html"><em>uncompute</em></a></td>
<td><a class="reference internal" href="undump.html"><em>undump</em></a></td>
<td><a class="reference internal" href="unfix.html"><em>unfix</em></a></td>
<td><a class="reference internal" href="units.html"><em>units</em></a></td>
<td><a class="reference internal" href="variable.html"><em>variable</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="velocity.html"><em>velocity</em></a></td>
<td><a class="reference internal" href="write_data.html"><em>write_data</em></a></td>
<td><a class="reference internal" href="write_dump.html"><em>write_dump</em></a></td>
<td><a class="reference internal" href="write_restart.html"><em>write_restart</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional commands in USER packages, which can be used if
<a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="100%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="group2ndx.html"><em>group2ndx</em></a></td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="fix-styles">
<h2>3.6. Fix styles<a class="headerlink" href="#fix-styles" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="fix.html"><em>fix</em></a> command for one-line descriptions of each style
or click on the style itself for a full description. Some of the
styles have accelerated versions, which can be used if LAMMPS is built
with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>.
This is indicated by additional letters in parenthesis: c = USER-CUDA,
g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="16%" />
<col width="11%" />
<col width="12%" />
<col width="13%" />
<col width="10%" />
<col width="11%" />
<col width="15%" />
<col width="12%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="fix_adapt.html"><em>adapt</em></a></td>
<td><a class="reference internal" href="fix_addforce.html"><em>addforce (c)</em></a></td>
<td><a class="reference internal" href="fix_append_atoms.html"><em>append/atoms</em></a></td>
<td><a class="reference internal" href="fix_atom_swap.html"><em>atom/swap</em></a></td>
<td><a class="reference internal" href="fix_aveforce.html"><em>aveforce (c)</em></a></td>
<td><a class="reference internal" href="fix_ave_atom.html"><em>ave/atom</em></a></td>
<td><a class="reference internal" href="fix_ave_chunk.html"><em>ave/chunk</em></a></td>
<td><a class="reference internal" href="fix_ave_correlate.html"><em>ave/correlate</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_ave_histo.html"><em>ave/histo</em></a></td>
<td><a class="reference internal" href="fix_ave_histo.html"><em>ave/histo/weight</em></a></td>
<td><a class="reference internal" href="fix_ave_spatial.html"><em>ave/spatial</em></a></td>
<td><a class="reference internal" href="fix_ave_time.html"><em>ave/time</em></a></td>
<td><a class="reference internal" href="fix_balance.html"><em>balance</em></a></td>
<td><a class="reference internal" href="fix_bond_break.html"><em>bond/break</em></a></td>
<td><a class="reference internal" href="fix_bond_create.html"><em>bond/create</em></a></td>
<td><a class="reference internal" href="fix_bond_swap.html"><em>bond/swap</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_box_relax.html"><em>box/relax</em></a></td>
<td><a class="reference internal" href="fix_deform.html"><em>deform</em></a></td>
<td><a class="reference internal" href="fix_deposit.html"><em>deposit</em></a></td>
<td><a class="reference internal" href="fix_drag.html"><em>drag</em></a></td>
<td><a class="reference internal" href="fix_dt_reset.html"><em>dt/reset</em></a></td>
<td><a class="reference internal" href="fix_efield.html"><em>efield</em></a></td>
<td><a class="reference internal" href="fix_enforce2d.html"><em>enforce2d (c)</em></a></td>
<td><a class="reference internal" href="fix_evaporate.html"><em>evaporate</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_external.html"><em>external</em></a></td>
<td><a class="reference internal" href="fix_freeze.html"><em>freeze (c)</em></a></td>
<td><a class="reference internal" href="fix_gcmc.html"><em>gcmc</em></a></td>
<td><a class="reference internal" href="fix_gld.html"><em>gld</em></a></td>
<td><a class="reference internal" href="fix_gravity.html"><em>gravity (co)</em></a></td>
<td><a class="reference internal" href="fix_heat.html"><em>heat</em></a></td>
<td><a class="reference internal" href="fix_indent.html"><em>indent</em></a></td>
<td><a class="reference internal" href="fix_langevin.html"><em>langevin (k)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_lineforce.html"><em>lineforce</em></a></td>
<td><a class="reference internal" href="fix_momentum.html"><em>momentum</em></a></td>
<td><a class="reference internal" href="fix_move.html"><em>move</em></a></td>
<td><a class="reference internal" href="fix_msst.html"><em>msst</em></a></td>
<td><a class="reference internal" href="fix_neb.html"><em>neb</em></a></td>
<td><a class="reference internal" href="fix_nh.html"><em>nph (o)</em></a></td>
<td><a class="reference internal" href="fix_nphug.html"><em>nphug (o)</em></a></td>
<td><a class="reference internal" href="fix_nph_asphere.html"><em>nph/asphere (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_nph_sphere.html"><em>nph/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nh.html"><em>npt (co)</em></a></td>
<td><a class="reference internal" href="fix_npt_asphere.html"><em>npt/asphere (o)</em></a></td>
<td><a class="reference internal" href="fix_npt_sphere.html"><em>npt/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nve.html"><em>nve (cko)</em></a></td>
<td><a class="reference internal" href="fix_nve_asphere.html"><em>nve/asphere</em></a></td>
<td><a class="reference internal" href="fix_nve_asphere_noforce.html"><em>nve/asphere/noforce</em></a></td>
<td><a class="reference internal" href="fix_nve_body.html"><em>nve/body</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_nve_limit.html"><em>nve/limit</em></a></td>
<td><a class="reference internal" href="fix_nve_line.html"><em>nve/line</em></a></td>
<td><a class="reference internal" href="fix_nve_noforce.html"><em>nve/noforce</em></a></td>
<td><a class="reference internal" href="fix_nve_sphere.html"><em>nve/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nve_tri.html"><em>nve/tri</em></a></td>
<td><a class="reference internal" href="fix_nh.html"><em>nvt (co)</em></a></td>
<td><a class="reference internal" href="fix_nvt_asphere.html"><em>nvt/asphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nvt_sllod.html"><em>nvt/sllod (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_nvt_sphere.html"><em>nvt/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_oneway.html"><em>oneway</em></a></td>
<td><a class="reference internal" href="fix_orient_fcc.html"><em>orient/fcc</em></a></td>
<td><a class="reference internal" href="fix_planeforce.html"><em>planeforce</em></a></td>
<td><a class="reference internal" href="fix_poems.html"><em>poems</em></a></td>
<td><a class="reference internal" href="fix_pour.html"><em>pour</em></a></td>
<td><a class="reference internal" href="fix_press_berendsen.html"><em>press/berendsen</em></a></td>
<td><a class="reference internal" href="fix_print.html"><em>print</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_property_atom.html"><em>property/atom</em></a></td>
<td><a class="reference internal" href="fix_qeq_comb.html"><em>qeq/comb (o)</em></a></td>
<td><a class="reference internal" href="fix_qeq.html"><em>qeq/dynamic</em></a></td>
<td><a class="reference internal" href="fix_qeq.html"><em>qeq/point</em></a></td>
<td><a class="reference internal" href="fix_qeq.html"><em>qeq/shielded</em></a></td>
<td><a class="reference internal" href="fix_qeq.html"><em>qeq/slater</em></a></td>
<td><a class="reference internal" href="fix_reax_bonds.html"><em>reax/bonds</em></a></td>
<td><a class="reference internal" href="fix_recenter.html"><em>recenter</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_restrain.html"><em>restrain</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/nph (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/npt (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/nve (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/nvt (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/small (o)</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/small/nph</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_rigid.html"><em>rigid/small/npt</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/small/nve</em></a></td>
<td><a class="reference internal" href="fix_rigid.html"><em>rigid/small/nvt</em></a></td>
<td><a class="reference internal" href="fix_setforce.html"><em>setforce (c)</em></a></td>
<td><a class="reference internal" href="fix_shake.html"><em>shake (c)</em></a></td>
<td><a class="reference internal" href="fix_spring.html"><em>spring</em></a></td>
<td><a class="reference internal" href="fix_spring_rg.html"><em>spring/rg</em></a></td>
<td><a class="reference internal" href="fix_spring_self.html"><em>spring/self</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_srd.html"><em>srd</em></a></td>
<td><a class="reference internal" href="fix_store_force.html"><em>store/force</em></a></td>
<td><a class="reference internal" href="fix_store_state.html"><em>store/state</em></a></td>
<td><a class="reference internal" href="fix_temp_berendsen.html"><em>temp/berendsen (c)</em></a></td>
<td><a class="reference internal" href="fix_temp_csvr.html"><em>temp/csld</em></a></td>
<td><a class="reference internal" href="fix_temp_csvr.html"><em>temp/csvr</em></a></td>
<td><a class="reference internal" href="fix_temp_rescale.html"><em>temp/rescale (c)</em></a></td>
<td><a class="reference internal" href="fix_tfmc.html"><em>tfmc</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_thermal_conductivity.html"><em>thermal/conductivity</em></a></td>
<td><a class="reference internal" href="fix_tmd.html"><em>tmd</em></a></td>
<td><a class="reference internal" href="fix_ttm.html"><em>ttm</em></a></td>
<td><a class="reference internal" href="fix_tune_kspace.html"><em>tune/kspace</em></a></td>
<td><a class="reference internal" href="fix_vector.html"><em>vector</em></a></td>
<td><a class="reference internal" href="fix_viscosity.html"><em>viscosity</em></a></td>
<td><a class="reference internal" href="fix_viscous.html"><em>viscous (c)</em></a></td>
<td><a class="reference internal" href="fix_wall.html"><em>wall/colloid</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_wall_gran.html"><em>wall/gran</em></a></td>
<td><a class="reference internal" href="fix_wall.html"><em>wall/harmonic</em></a></td>
<td><a class="reference internal" href="fix_wall.html"><em>wall/lj1043</em></a></td>
<td><a class="reference internal" href="fix_wall.html"><em>wall/lj126</em></a></td>
<td><a class="reference internal" href="fix_wall.html"><em>wall/lj93</em></a></td>
<td><a class="reference internal" href="fix_wall_piston.html"><em>wall/piston</em></a></td>
<td><a class="reference internal" href="fix_wall_reflect.html"><em>wall/reflect</em></a></td>
<td><a class="reference internal" href="fix_wall_region.html"><em>wall/region</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_wall_srd.html"><em>wall/srd</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional fix styles in USER packages, which can be used if
<a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="18%" />
<col width="15%" />
<col width="14%" />
<col width="17%" />
<col width="17%" />
<col width="18%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="fix_adapt_fep.html"><em>adapt/fep</em></a></td>
<td><a class="reference internal" href="fix_addtorque.html"><em>addtorque</em></a></td>
<td><a class="reference internal" href="fix_atc.html"><em>atc</em></a></td>
<td><a class="reference internal" href="fix_ave_spatial_sphere.html"><em>ave/spatial/sphere</em></a></td>
<td><a class="reference internal" href="fix_drude.html"><em>drude</em></a></td>
<td><a class="reference internal" href="fix_drude_transform.html"><em>drude/transform/direct</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_drude_transform.html"><em>drude/transform/reverse</em></a></td>
<td><a class="reference internal" href="fix_colvars.html"><em>colvars</em></a></td>
<td><a class="reference internal" href="fix_gle.html"><em>gle</em></a></td>
<td><a class="reference internal" href="fix_imd.html"><em>imd</em></a></td>
<td><a class="reference internal" href="fix_ipi.html"><em>ipi</em></a></td>
<td><a class="reference internal" href="fix_langevin_drude.html"><em>langevin/drude</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_langevin_eff.html"><em>langevin/eff</em></a></td>
<td><a class="reference internal" href="fix_lb_fluid.html"><em>lb/fluid</em></a></td>
<td><a class="reference internal" href="fix_lb_momentum.html"><em>lb/momentum</em></a></td>
<td><a class="reference internal" href="fix_lb_pc.html"><em>lb/pc</em></a></td>
<td><a class="reference internal" href="fix_lb_rigid_pc_sphere.html"><em>lb/rigid/pc/sphere</em></a></td>
<td><a class="reference internal" href="fix_lb_viscous.html"><em>lb/viscous</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_meso.html"><em>meso</em></a></td>
<td><a class="reference internal" href="fix_meso_stationary.html"><em>meso/stationary</em></a></td>
<td><a class="reference internal" href="fix_nh_eff.html"><em>nph/eff</em></a></td>
<td><a class="reference internal" href="fix_nh_eff.html"><em>npt/eff</em></a></td>
<td><a class="reference internal" href="fix_nve_eff.html"><em>nve/eff</em></a></td>
<td><a class="reference internal" href="fix_nh_eff.html"><em>nvt/eff</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_nvt_sllod_eff.html"><em>nvt/sllod/eff</em></a></td>
<td><a class="reference internal" href="fix_phonon.html"><em>phonon</em></a></td>
<td><a class="reference internal" href="fix_pimd.html"><em>pimd</em></a></td>
<td><a class="reference internal" href="fix_qbmsst.html"><em>qbmsst</em></a></td>
<td><a class="reference internal" href="fix_qeq_reax.html"><em>qeq/reax</em></a></td>
<td><a class="reference internal" href="fix_qmmm.html"><em>qmmm</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="fix_qtb.html"><em>qtb</em></a></td>
<td><a class="reference internal" href="fix_reax_bonds.html"><em>reax/c/bonds</em></a></td>
<td><a class="reference internal" href="fix_reaxc_species.html"><em>reax/c/species</em></a></td>
<td><a class="reference internal" href="fix_saed_vtk.html"><em>saed/vtk</em></a></td>
<td><a class="reference internal" href="fix_smd.html"><em>smd</em></a></td>
<td><a class="reference internal" href="fix_temp_rescale_eff.html"><em>temp/rescale/eff</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_ti_rs.html"><em>ti/rs</em></a></td>
<td><a class="reference internal" href="fix_ti_spring.html"><em>ti/spring</em></a></td>
<td><a class="reference internal" href="fix_ttm.html"><em>ttm/mod</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="compute-styles">
<h2>3.7. Compute styles<a class="headerlink" href="#compute-styles" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="compute.html"><em>compute</em></a> command for one-line descriptions of
each style or click on the style itself for a full description. Some
of the styles have accelerated versions, which can be used if LAMMPS
is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="16%" />
<col width="19%" />
<col width="17%" />
<col width="15%" />
<col width="17%" />
<col width="16%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="compute_angle_local.html"><em>angle/local</em></a></td>
<td><a class="reference internal" href="compute_angmom_chunk.html"><em>angmom/chunk</em></a></td>
<td><a class="reference internal" href="compute_body_local.html"><em>body/local</em></a></td>
<td><a class="reference internal" href="compute_bond_local.html"><em>bond/local</em></a></td>
<td><a class="reference internal" href="compute_centro_atom.html"><em>centro/atom</em></a></td>
<td><a class="reference internal" href="compute_chunk_atom.html"><em>chunk/atom</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_cluster_atom.html"><em>cluster/atom</em></a></td>
<td><a class="reference internal" href="compute_cna_atom.html"><em>cna/atom</em></a></td>
<td><a class="reference internal" href="compute_com.html"><em>com</em></a></td>
<td><a class="reference internal" href="compute_com_chunk.html"><em>com/chunk</em></a></td>
<td><a class="reference internal" href="compute_contact_atom.html"><em>contact/atom</em></a></td>
<td><a class="reference internal" href="compute_coord_atom.html"><em>coord/atom</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_damage_atom.html"><em>damage/atom</em></a></td>
<td><a class="reference internal" href="compute_dihedral_local.html"><em>dihedral/local</em></a></td>
<td><a class="reference internal" href="compute_dilatation_atom.html"><em>dilatation/atom</em></a></td>
<td><a class="reference internal" href="compute_displace_atom.html"><em>displace/atom</em></a></td>
<td><a class="reference internal" href="compute_erotate_asphere.html"><em>erotate/asphere</em></a></td>
<td><a class="reference internal" href="compute_erotate_rigid.html"><em>erotate/rigid</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_erotate_sphere.html"><em>erotate/sphere</em></a></td>
<td><a class="reference internal" href="compute_erotate_sphere_atom.html"><em>erotate/sphere/atom</em></a></td>
<td><a class="reference internal" href="compute_event_displace.html"><em>event/displace</em></a></td>
<td><a class="reference internal" href="compute_group_group.html"><em>group/group</em></a></td>
<td><a class="reference internal" href="compute_gyration.html"><em>gyration</em></a></td>
<td><a class="reference internal" href="compute_gyration_chunk.html"><em>gyration/chunk</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_heat_flux.html"><em>heat/flux</em></a></td>
<td><a class="reference internal" href="compute_improper_local.html"><em>improper/local</em></a></td>
<td><a class="reference internal" href="compute_inertia_chunk.html"><em>inertia/chunk</em></a></td>
<td><a class="reference internal" href="compute_ke.html"><em>ke</em></a></td>
<td><a class="reference internal" href="compute_ke_atom.html"><em>ke/atom</em></a></td>
<td><a class="reference internal" href="compute_ke_rigid.html"><em>ke/rigid</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_msd.html"><em>msd</em></a></td>
<td><a class="reference internal" href="compute_msd_chunk.html"><em>msd/chunk</em></a></td>
<td><a class="reference internal" href="compute_msd_nongauss.html"><em>msd/nongauss</em></a></td>
<td><a class="reference internal" href="compute_omega_chunk.html"><em>omega/chunk</em></a></td>
<td><a class="reference internal" href="compute_pair.html"><em>pair</em></a></td>
<td><a class="reference internal" href="compute_pair_local.html"><em>pair/local</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_pe.html"><em>pe (c)</em></a></td>
<td><a class="reference internal" href="compute_pe_atom.html"><em>pe/atom</em></a></td>
<td><a class="reference internal" href="compute_plasticity_atom.html"><em>plasticity/atom</em></a></td>
<td><a class="reference internal" href="compute_pressure.html"><em>pressure (c)</em></a></td>
<td><a class="reference internal" href="compute_property_atom.html"><em>property/atom</em></a></td>
<td><a class="reference internal" href="compute_property_local.html"><em>property/local</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_property_chunk.html"><em>property/chunk</em></a></td>
<td><a class="reference internal" href="compute_rdf.html"><em>rdf</em></a></td>
<td><a class="reference internal" href="compute_reduce.html"><em>reduce</em></a></td>
<td><a class="reference internal" href="compute_reduce.html"><em>reduce/region</em></a></td>
<td><a class="reference internal" href="compute_slice.html"><em>slice</em></a></td>
<td><a class="reference internal" href="compute_sna_atom.html"><em>sna/atom</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_sna_atom.html"><em>snad/atom</em></a></td>
<td><a class="reference internal" href="compute_sna_atom.html"><em>snav/atom</em></a></td>
<td><a class="reference internal" href="compute_stress_atom.html"><em>stress/atom</em></a></td>
<td><a class="reference internal" href="compute_temp.html"><em>temp (c)</em></a></td>
<td><a class="reference internal" href="compute_temp_asphere.html"><em>temp/asphere</em></a></td>
<td><a class="reference internal" href="compute_temp_com.html"><em>temp/com</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_temp_chunk.html"><em>temp/chunk</em></a></td>
<td><a class="reference internal" href="compute_temp_deform.html"><em>temp/deform</em></a></td>
<td><a class="reference internal" href="compute_temp_partial.html"><em>temp/partial (c)</em></a></td>
<td><a class="reference internal" href="compute_temp_profile.html"><em>temp/profile</em></a></td>
<td><a class="reference internal" href="compute_temp_ramp.html"><em>temp/ramp</em></a></td>
<td><a class="reference internal" href="compute_temp_region.html"><em>temp/region</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_temp_sphere.html"><em>temp/sphere</em></a></td>
<td><a class="reference internal" href="compute_ti.html"><em>ti</em></a></td>
<td><a class="reference internal" href="compute_torque_chunk.html"><em>torque/chunk</em></a></td>
<td><a class="reference internal" href="compute_vacf.html"><em>vacf</em></a></td>
<td><a class="reference internal" href="compute_vcm_chunk.html"><em>vcm/chunk</em></a></td>
<td><a class="reference internal" href="compute_voronoi_atom.html"><em>voronoi/atom</em></a></td>
</tr>
</tbody>
</table>
<p>These are additional compute styles in USER packages, which can be
used if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="20%" />
<col width="17%" />
<col width="11%" />
<col width="16%" />
<col width="17%" />
<col width="20%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="compute_ackland_atom.html"><em>ackland/atom</em></a></td>
<td><a class="reference internal" href="compute_basal_atom.html"><em>basal/atom</em></a></td>
<td><a class="reference internal" href="compute_fep.html"><em>fep</em></a></td>
<td><a class="reference internal" href="compute_ke_eff.html"><em>ke/eff</em></a></td>
<td><a class="reference internal" href="compute_ke_atom_eff.html"><em>ke/atom/eff</em></a></td>
<td><a class="reference internal" href="compute_meso_e_atom.html"><em>meso_e/atom</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="compute_meso_rho_atom.html"><em>meso_rho/atom</em></a></td>
<td><a class="reference internal" href="compute_meso_t_atom.html"><em>meso_t/atom</em></a></td>
<td><a class="reference internal" href="compute_saed.html"><em>saed</em></a></td>
<td><a class="reference internal" href="compute_temp_drude.html"><em>temp/drude</em></a></td>
<td><a class="reference internal" href="compute_temp_eff.html"><em>temp/eff</em></a></td>
<td><a class="reference internal" href="compute_temp_deform_eff.html"><em>temp/deform/eff</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="compute_temp_region_eff.html"><em>temp/region/eff</em></a></td>
<td><a class="reference internal" href="compute_temp_rotate.html"><em>temp/rotate</em></a></td>
<td><a class="reference internal" href="compute_xrd.html"><em>xrd</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="pair-style-potentials">
<h2>3.8. Pair_style potentials<a class="headerlink" href="#pair-style-potentials" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="pair_style.html"><em>pair_style</em></a> command for an overview of pair
potentials. Click on the style itself for a full description. Many
of the styles have accelerated versions, which can be used if LAMMPS
is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="24%" />
<col width="25%" />
<col width="27%" />
<col width="23%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="pair_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="pair_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="pair_hybrid.html"><em>hybrid/overlay</em></a></td>
<td><a class="reference internal" href="pair_adp.html"><em>adp (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_airebo.html"><em>airebo (o)</em></a></td>
<td><a class="reference internal" href="pair_beck.html"><em>beck (go)</em></a></td>
<td><a class="reference internal" href="pair_body.html"><em>body</em></a></td>
<td><a class="reference internal" href="pair_bop.html"><em>bop</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_born.html"><em>born (go)</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/long (cgo)</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/msm (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_born.html"><em>born/coul/wolf (go)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian (o)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian/poly (o)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck (cgko)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_buck.html"><em>buck/coul/cut (cgko)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long (cgko)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/msm (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_buck_long.html"><em>buck/long/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_colloid.html"><em>colloid (go)</em></a></td>
<td><a class="reference internal" href="pair_comb.html"><em>comb (o)</em></a></td>
<td><a class="reference internal" href="pair_comb.html"><em>comb3</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>coul/cut (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/debye (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/dsf (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/long (gko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_coul.html"><em>coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/msm</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/streitz</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/wolf (ko)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_dpd.html"><em>dpd (o)</em></a></td>
<td><a class="reference internal" href="pair_dpd.html"><em>dpd/tstat (o)</em></a></td>
<td><a class="reference internal" href="pair_dsmc.html"><em>dsmc</em></a></td>
<td><a class="reference internal" href="pair_eam.html"><em>eam (cgkot)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_eam.html"><em>eam/alloy (cgkot)</em></a></td>
<td><a class="reference internal" href="pair_eam.html"><em>eam/fs (cgkot)</em></a></td>
<td><a class="reference internal" href="pair_eim.html"><em>eim (o)</em></a></td>
<td><a class="reference internal" href="pair_gauss.html"><em>gauss (go)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_gayberne.html"><em>gayberne (gio)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hertz/history (o)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hooke (co)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hooke/history (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/lj (o)</em></a></td>
<td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/morse (o)</em></a></td>
<td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td>
<td><a class="reference internal" href="pair_lcbop.html"><em>lcbop</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_line_lj.html"><em>line/lj (o)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/msm</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2 (cgko)</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/cut (cko)</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/long (cgko)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut (cgikot)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/cut (cgko)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/debye (cgko)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/dsf (gko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/long (cgikot)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/msm (go)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/cut (go)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/long</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/long (ot)</em></a></td>
<td><a class="reference internal" href="pair_lj_expand.html"><em>lj/expand (cgko)</em></a></td>
<td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs (cgko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs/coul/gromacs (cko)</em></a></td>
<td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/long/dipole/long</em></a></td>
<td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/tip4p/long</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lj_smooth.html"><em>lj/smooth (co)</em></a></td>
<td><a class="reference internal" href="pair_lj_smooth_linear.html"><em>lj/smooth/linear (o)</em></a></td>
<td><a class="reference internal" href="pair_lj96.html"><em>lj96/cut (cgo)</em></a></td>
<td><a class="reference internal" href="pair_lubricate.html"><em>lubricate (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_lubricate.html"><em>lubricate/poly (o)</em></a></td>
<td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU</em></a></td>
<td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU/poly</em></a></td>
<td><a class="reference internal" href="pair_meam.html"><em>meam (o)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_mie.html"><em>mie/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_morse.html"><em>morse (cgot)</em></a></td>
<td><a class="reference internal" href="pair_nb3b_harmonic.html"><em>nb3b/harmonic (o)</em></a></td>
<td><a class="reference internal" href="pair_nm.html"><em>nm/cut (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/eps</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/lps (o)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_peri.html"><em>peri/pmb (o)</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/ves</em></a></td>
<td><a class="reference internal" href="pair_polymorphic.html"><em>polymorphic</em></a></td>
<td><a class="reference internal" href="pair_reax.html"><em>reax</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_airebo.html"><em>rebo (o)</em></a></td>
<td><a class="reference internal" href="pair_resquared.html"><em>resquared (go)</em></a></td>
<td><a class="reference internal" href="pair_snap.html"><em>snap</em></a></td>
<td><a class="reference internal" href="pair_soft.html"><em>soft (go)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_sw.html"><em>sw (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_table.html"><em>table (gko)</em></a></td>
<td><a class="reference internal" href="pair_tersoff.html"><em>tersoff (cko)</em></a></td>
<td><a class="reference internal" href="pair_tersoff_mod.html"><em>tersoff/mod (ko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_tersoff_zbl.html"><em>tersoff/zbl (ko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td>
<td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj (o)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
<td><a class="reference internal" href="pair_yukawa_colloid.html"><em>yukawa/colloid (go)</em></a></td>
<td><a class="reference internal" href="pair_zbl.html"><em>zbl (o)</em></a></td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional pair styles in USER packages, which can be used
if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="27%" />
<col width="24%" />
<col width="24%" />
<col width="25%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="pair_awpmd.html"><em>awpmd/cut</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>coul/cut/soft (o)</em></a></td>
<td><a class="reference internal" href="pair_coul_diel.html"><em>coul/diel (o)</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>coul/long/soft (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_eam.html"><em>eam/cd (o)</em></a></td>
<td><a class="reference internal" href="pair_edip.html"><em>edip (o)</em></a></td>
<td><a class="reference internal" href="pair_eff.html"><em>eff/cut</em></a></td>
<td><a class="reference internal" href="pair_gauss.html"><em>gauss/cut</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_list.html"><em>list</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long/soft (o)</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>lj/cut/coul/cut/soft (o)</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>lj/cut/coul/long/soft (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/sf (go)</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>lj/cut/soft (o)</em></a></td>
<td><a class="reference internal" href="pair_lj_soft.html"><em>lj/cut/tip4p/long/soft (o)</em></a></td>
<td><a class="reference internal" href="pair_sdk.html"><em>lj/sdk (gko)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_sdk.html"><em>lj/sdk/coul/long (go)</em></a></td>
<td><a class="reference internal" href="pair_sdk.html"><em>lj/sdk/coul/msm (o)</em></a></td>
<td><a class="reference internal" href="pair_lj_sf.html"><em>lj/sf (o)</em></a></td>
<td><a class="reference internal" href="pair_meam_spline.html"><em>meam/spline</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_meam_sw_spline.html"><em>meam/sw/spline</em></a></td>
<td><a class="reference internal" href="pair_quip.html"><em>quip</em></a></td>
<td><a class="reference internal" href="pair_reax_c.html"><em>reax/c</em></a></td>
<td><a class="reference internal" href="pair_sph_heatconduction.html"><em>sph/heatconduction</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_sph_idealgas.html"><em>sph/idealgas</em></a></td>
<td><a class="reference internal" href="pair_sph_lj.html"><em>sph/lj</em></a></td>
<td><a class="reference internal" href="pair_sph_rhosum.html"><em>sph/rhosum</em></a></td>
<td><a class="reference internal" href="pair_sph_taitwater.html"><em>sph/taitwater</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="pair_sph_taitwater_morris.html"><em>sph/taitwater/morris</em></a></td>
<td><a class="reference internal" href="pair_srp.html"><em>srp</em></a></td>
<td><a class="reference internal" href="pair_tersoff.html"><em>tersoff/table (o)</em></a></td>
<td><a class="reference internal" href="pair_thole.html"><em>thole</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lj_soft.html"><em>tip4p/long/soft (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="bond-style-potentials">
<h2>3.9. Bond_style potentials<a class="headerlink" href="#bond-style-potentials" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="bond_style.html"><em>bond_style</em></a> command for an overview of bond
potentials. Click on the style itself for a full description. Some
of the styles have accelerated versions, which can be used if LAMMPS
is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="28%" />
<col width="25%" />
<col width="22%" />
<col width="25%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="bond_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="bond_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="bond_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="bond_fene.html"><em>fene (ko)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="bond_fene_expand.html"><em>fene/expand (o)</em></a></td>
<td><a class="reference internal" href="bond_harmonic.html"><em>harmonic (ko)</em></a></td>
<td><a class="reference internal" href="bond_morse.html"><em>morse (o)</em></a></td>
<td><a class="reference internal" href="bond_nonlinear.html"><em>nonlinear (o)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="bond_quartic.html"><em>quartic (o)</em></a></td>
<td><a class="reference internal" href="bond_table.html"><em>table (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional bond styles in USER packages, which can be used
if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="46%" />
<col width="54%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="bond_harmonic_shift.html"><em>harmonic/shift (o)</em></a></td>
<td><a class="reference internal" href="bond_harmonic_shift_cut.html"><em>harmonic/shift/cut (o)</em></a></td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="angle-style-potentials">
<h2>3.10. Angle_style potentials<a class="headerlink" href="#angle-style-potentials" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="angle_style.html"><em>angle_style</em></a> command for an overview of
angle potentials. Click on the style itself for a full description.
Some of the styles have accelerated versions, which can be used if
LAMMPS is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="21%" />
<col width="25%" />
<col width="28%" />
<col width="27%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="angle_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="angle_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="angle_charmm.html"><em>charmm (ko)</em></a></td>
<td><a class="reference internal" href="angle_class2.html"><em>class2 (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="angle_cosine.html"><em>cosine (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_delta.html"><em>cosine/delta (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_periodic.html"><em>cosine/periodic (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_squared.html"><em>cosine/squared (o)</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="angle_harmonic.html"><em>harmonic (ko)</em></a></td>
<td><a class="reference internal" href="angle_table.html"><em>table (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional angle styles in USER packages, which can be used
if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="29%" />
<col width="31%" />
<col width="20%" />
<col width="21%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="angle_cosine_shift.html"><em>cosine/shift (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_shift_exp.html"><em>cosine/shift/exp (o)</em></a></td>
<td><a class="reference internal" href="angle_dipole.html"><em>dipole (o)</em></a></td>
<td><a class="reference internal" href="angle_fourier.html"><em>fourier (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="angle_fourier_simple.html"><em>fourier/simple (o)</em></a></td>
<td><a class="reference internal" href="angle_quartic.html"><em>quartic (o)</em></a></td>
<td><a class="reference internal" href="angle_sdk.html"><em>sdk</em></a></td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="dihedral-style-potentials">
<h2>3.11. Dihedral_style potentials<a class="headerlink" href="#dihedral-style-potentials" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="dihedral_style.html"><em>dihedral_style</em></a> command for an overview
of dihedral potentials. Click on the style itself for a full
description. Some of the styles have accelerated versions, which can
be used if LAMMPS is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="25%" />
<col width="21%" />
<col width="32%" />
<col width="22%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="dihedral_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="dihedral_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="dihedral_charmm.html"><em>charmm (ko)</em></a></td>
<td><a class="reference internal" href="dihedral_class2.html"><em>class2 (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (o)</em></a></td>
<td><a class="reference internal" href="dihedral_helix.html"><em>helix (o)</em></a></td>
<td><a class="reference internal" href="dihedral_multi_harmonic.html"><em>multi/harmonic (o)</em></a></td>
<td><a class="reference internal" href="dihedral_opls.html"><em>opls (ko)</em></a></td>
</tr>
</tbody>
</table>
<p>These are additional dihedral styles in USER packages, which can be
used if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="31%" />
<col width="21%" />
<col width="24%" />
<col width="24%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="dihedral_cosine_shift_exp.html"><em>cosine/shift/exp (o)</em></a></td>
<td><a class="reference internal" href="dihedral_fourier.html"><em>fourier (o)</em></a></td>
<td><a class="reference internal" href="dihedral_nharmonic.html"><em>nharmonic (o)</em></a></td>
<td><a class="reference internal" href="dihedral_quadratic.html"><em>quadratic (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="dihedral_table.html"><em>table (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="improper-style-potentials">
<h2>3.12. Improper_style potentials<a class="headerlink" href="#improper-style-potentials" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="improper_style.html"><em>improper_style</em></a> command for an overview
of improper potentials. Click on the style itself for a full
description. Some of the styles have accelerated versions, which can
be used if LAMMPS is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="27%" />
<col width="27%" />
<col width="24%" />
<col width="22%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="improper_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="improper_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="improper_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="improper_cvff.html"><em>cvff (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="improper_harmonic.html"><em>harmonic (ko)</em></a></td>
<td><a class="reference internal" href="improper_umbrella.html"><em>umbrella (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr>
</tbody>
</table>
<p>These are additional improper styles in USER packages, which can be
used if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
<col width="33%" />
<col width="36%" />
<col width="31%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="improper_cossq.html"><em>cossq (o)</em></a></td>
<td><a class="reference internal" href="improper_fourier.html"><em>fourier (o)</em></a></td>
<td><a class="reference internal" href="improper_ring.html"><em>ring (o)</em></a></td>
</tr>
</tbody>
</table>
</div>
<hr class="docutils" />
<div class="section" id="kspace-solvers">
<h2>3.13. Kspace solvers<a class="headerlink" href="#kspace-solvers" title="Permalink to this headline"></a></h2>
<p>See the <a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a> command for an overview of
Kspace solvers. Click on the style itself for a full description.
Some of the styles have accelerated versions, which can be used if
LAMMPS is built with the <a class="reference internal" href="Section_accelerate.html"><em>appropriate accelerated package</em></a>. This is indicated by additional
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils">
<colgroup>
<col width="26%" />
<col width="24%" />
<col width="23%" />
<col width="27%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="kspace_style.html"><em>ewald (o)</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>ewald/disp</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>msm (o)</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>msm/cg (o)</em></a></td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="kspace_style.html"><em>pppm (cgo)</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>pppm/cg (o)</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>pppm/disp</em></a></td>
<td><a class="reference internal" href="kspace_style.html"><em>pppm/disp/tip4p</em></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="kspace_style.html"><em>pppm/tip4p (o)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
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