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<HTML>
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2011-08-26 00:17:31 +08:00
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<CENTER><A HREF = "Section_start.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_packages.html">Next Section</A>
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2006-09-22 00:22:34 +08:00
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<HR>
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<H3>3. Commands
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</H3>
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2011-12-09 08:44:47 +08:00
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<P>This section describes how a LAMMPS input script is formatted and the
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input script commands used to define a LAMMPS simulation.
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</P>
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2011-08-26 01:01:01 +08:00
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3.1 <A HREF = "#cmd_1">LAMMPS input script</A><BR>
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3.2 <A HREF = "#cmd_2">Parsing rules</A><BR>
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3.3 <A HREF = "#cmd_3">Input script structure</A><BR>
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3.4 <A HREF = "#cmd_4">Commands listed by category</A><BR>
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3.5 <A HREF = "#cmd_5">Commands listed alphabetically</A> <BR>
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2006-09-22 00:22:34 +08:00
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<HR>
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2011-12-09 08:44:47 +08:00
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<HR>
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2011-08-26 01:01:01 +08:00
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<A NAME = "cmd_1"></A><H4>3.1 LAMMPS input script
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2006-09-22 00:22:34 +08:00
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</H4>
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<P>LAMMPS executes by reading commands from a input script (text file),
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one line at a time. When the input script ends, LAMMPS exits. Each
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command causes LAMMPS to take some action. It may set an internal
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variable, read in a file, or run a simulation. Most commands have
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default settings, which means you only need to use the command if you
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wish to change the default.
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</P>
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<P>In many cases, the ordering of commands in an input script is not
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important. However the following rules apply:
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</P>
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<P>(1) LAMMPS does not read your entire input script and then perform a
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simulation with all the settings. Rather, the input script is read
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one line at a time and each command takes effect when it is read.
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Thus this sequence of commands:
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</P>
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<PRE>timestep 0.5
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run 100
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run 100
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</PRE>
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<P>does something different than this sequence:
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</P>
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<PRE>run 100
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timestep 0.5
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run 100
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</PRE>
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<P>In the first case, the specified timestep (0.5 fmsec) is used for two
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simulations of 100 timesteps each. In the 2nd case, the default
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timestep (1.0 fmsec) is used for the 1st 100 step simulation and a 0.5
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fmsec timestep is used for the 2nd one.
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</P>
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<P>(2) Some commands are only valid when they follow other commands. For
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example you cannot set the temperature of a group of atoms until atoms
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have been defined and a group command is used to define which atoms
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belong to the group.
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</P>
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<P>(3) Sometimes command B will use values that can be set by command A.
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This means command A must precede command B in the input script if it
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is to have the desired effect. For example, the
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<A HREF = "read_data.html">read_data</A> command initializes the system by setting
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up the simulation box and assigning atoms to processors. If default
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values are not desired, the <A HREF = "processors.html">processors</A> and
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<A HREF = "boundary.html">boundary</A> commands need to be used before read_data to
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tell LAMMPS how to map processors to the simulation box.
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</P>
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<P>Many input script errors are detected by LAMMPS and an ERROR or
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WARNING message is printed. <A HREF = "Section_errors.html">This section</A> gives
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more information on what errors mean. The documentation for each
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command lists restrictions on how the command can be used.
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</P>
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<HR>
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2011-08-26 01:01:01 +08:00
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<A NAME = "cmd_2"></A><H4>3.2 Parsing rules
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</H4>
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<P>Each non-blank line in the input script is treated as a command.
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LAMMPS commands are case sensitive. Command names are lower-case, as
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are specified command arguments. Upper case letters may be used in
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file names or user-chosen ID strings.
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</P>
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<P>Here is how each line in the input script is parsed by LAMMPS:
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</P>
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2010-01-20 04:04:41 +08:00
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<P>(1) If the last printable character on the line is a "&" character
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(with no surrounding quotes), the command is assumed to continue on
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the next line. The next line is concatenated to the previous line by
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removing the "&" character and newline. This allows long commands to
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be continued across two or more lines.
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</P>
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<P>(2) All characters from the first "#" character onward are treated as
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comment and discarded. See an exception in (6). Note that a
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comment after a trailing "&" character will prevent the command from
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continuing on the next line. Also note that for multi-line commands a
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single leading "#" will comment out the entire command.
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</P>
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<P>(3) The line is searched repeatedly for $ characters, which indicate
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variables that are replaced with a text string. See an exception in
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(6).
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</P>
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<P>If the $ is followed by curly brackets, then the variable name is the
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text inside the curly brackets. If no curly brackets follow the $,
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then the variable name is the single character immediately following
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the $. Thus ${myTemp} and $x refer to variable names "myTemp" and
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"x".
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</P>
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<P>If the $ is followed by parenthesis, then the text inside the
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parenthesis is treated as an "immediate" variable and evaluated as an
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<A HREF = "variable.html">equal-style variable</A>. This is a way to use numeric
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formulas in an input script without having to assign them to variable
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names. For example, these 3 input script lines:
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</P>
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<PRE>variable X equal (xlo+xhi)/2+sqrt(v_area)
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region 1 block $X 2 INF INF EDGE EDGE
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variable X delete
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</PRE>
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<P>can be replaced by
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</P>
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<PRE>region 1 block $((xlo+xhi)/2+sqrt(v_area)) 2 INF INF EDGE EDGE
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</PRE>
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<P>The latter produces an identical result, without having to define and
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discard a temporary variable X.
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</P>
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<P>See the <A HREF = "variable.html">variable</A> command for more details of how
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strings are assigned to variables and evaluated, and how they can be
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used in input script commands.
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2006-09-22 00:22:34 +08:00
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</P>
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<P>(4) The line is broken into "words" separated by whitespace (tabs,
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spaces). Note that words can thus contain letters, digits,
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underscores, or punctuation characters.
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</P>
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<P>(5) The first word is the command name. All successive words in the
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line are arguments.
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</P>
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2010-01-20 04:04:41 +08:00
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<P>(6) If you want text with spaces to be treated as a single argument,
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2010-11-19 01:28:36 +08:00
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it can be enclosed in either double or single quotes. E.g.
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</P>
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<PRE>print "Volume = $v"
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print 'Volume = $v'
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2013-02-19 01:23:22 +08:00
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if "$<I>steps</I> > 1000" then quit
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2010-11-19 01:28:36 +08:00
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</PRE>
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<P>The quotes are removed when the single argument is stored internally.
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2013-02-19 01:23:22 +08:00
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See the <A HREF = "dump_modify.html">dump modify format</A> or <A HREF = "print.html">print</A> or
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<A HREF = "if.html">if</A> commands for examples. A "#" or "$" character that is
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between quotes will not be treated as a comment indicator in (2) or
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substituted for as a variable in (3).
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2010-11-19 01:28:36 +08:00
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</P>
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<P>IMPORTANT NOTE: If the argument is itself a command that requires a
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quoted argument (e.g. using a <A HREF = "print.html">print</A> command as part of an
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<A HREF = "if.html">if</A> or <A HREF = "run.html">run every</A> command), then the double and
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single quotes can be nested in the usual manner. See the doc pages
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for those commands for examples. Only one of level of nesting is
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allowed, but that should be sufficient for most use cases.
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2006-09-22 00:22:34 +08:00
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</P>
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<HR>
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2011-08-26 01:01:01 +08:00
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<H4><A NAME = "cmd_3"></A>3.3 Input script structure
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2006-09-22 00:22:34 +08:00
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</H4>
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<P>This section describes the structure of a typical LAMMPS input script.
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The "examples" directory in the LAMMPS distribution contains many
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sample input scripts; the corresponding problems are discussed in
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2011-12-14 04:35:35 +08:00
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<A HREF = "Section_example.html">Section_example</A>, and animated on the <A HREF = "http://lammps.sandia.gov">LAMMPS
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WWW Site</A>.
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2006-09-22 00:22:34 +08:00
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</P>
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<P>A LAMMPS input script typically has 4 parts:
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</P>
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<OL><LI>Initialization
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<LI>Atom definition
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<LI>Settings
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<LI>Run a simulation
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</OL>
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<P>The last 2 parts can be repeated as many times as desired. I.e. run a
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simulation, change some settings, run some more, etc. Each of the 4
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parts is now described in more detail. Remember that almost all the
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commands need only be used if a non-default value is desired.
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</P>
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<P>(1) Initialization
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</P>
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<P>Set parameters that need to be defined before atoms are created or
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read-in from a file.
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</P>
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<P>The relevant commands are <A HREF = "units.html">units</A>,
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<A HREF = "dimension.html">dimension</A>, <A HREF = "newton.html">newton</A>,
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<A HREF = "processors.html">processors</A>, <A HREF = "boundary.html">boundary</A>,
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<A HREF = "atom_style.html">atom_style</A>, <A HREF = "atom_modify.html">atom_modify</A>.
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</P>
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<P>If force-field parameters appear in the files that will be read, these
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commands tell LAMMPS what kinds of force fields are being used:
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<A HREF = "pair_style.html">pair_style</A>, <A HREF = "bond_style.html">bond_style</A>,
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<A HREF = "angle_style.html">angle_style</A>, <A HREF = "dihedral_style.html">dihedral_style</A>,
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<A HREF = "improper_style.html">improper_style</A>.
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</P>
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<P>(2) Atom definition
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</P>
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<P>There are 3 ways to define atoms in LAMMPS. Read them in from a data
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or restart file via the <A HREF = "read_data.html">read_data</A> or
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<A HREF = "read_restart.html">read_restart</A> commands. These files can contain
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molecular topology information. Or create atoms on a lattice (with no
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molecular topology), using these commands: <A HREF = "lattice.html">lattice</A>,
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2006-11-14 06:18:34 +08:00
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<A HREF = "region.html">region</A>, <A HREF = "create_box.html">create_box</A>,
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<A HREF = "create_atoms.html">create_atoms</A>. The entire set of atoms can be
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duplicated to make a larger simulation using the
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<A HREF = "replicate.html">replicate</A> command.
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2006-09-22 00:22:34 +08:00
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</P>
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<P>(3) Settings
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</P>
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<P>Once atoms and molecular topology are defined, a variety of settings
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can be specified: force field coefficients, simulation parameters,
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output options, etc.
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</P>
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<P>Force field coefficients are set by these commands (they can also be
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set in the read-in files): <A HREF = "pair_coeff.html">pair_coeff</A>,
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<A HREF = "bond_coeff.html">bond_coeff</A>, <A HREF = "angle_coeff.html">angle_coeff</A>,
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<A HREF = "dihedral_coeff.html">dihedral_coeff</A>,
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<A HREF = "improper_coeff.html">improper_coeff</A>,
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<A HREF = "kspace_style.html">kspace_style</A>, <A HREF = "dielectric.html">dielectric</A>,
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<A HREF = "special_bonds.html">special_bonds</A>.
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</P>
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<P>Various simulation parameters are set by these commands:
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<A HREF = "neighbor.html">neighbor</A>, <A HREF = "neigh_modify.html">neigh_modify</A>,
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<A HREF = "group.html">group</A>, <A HREF = "timestep.html">timestep</A>,
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<A HREF = "reset_timestep.html">reset_timestep</A>, <A HREF = "run_style.html">run_style</A>,
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<A HREF = "min_style.html">min_style</A>, <A HREF = "min_modify.html">min_modify</A>.
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</P>
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<P>Fixes impose a variety of boundary conditions, time integration, and
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diagnostic options. The <A HREF = "fix.html">fix</A> command comes in many flavors.
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</P>
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2007-02-10 05:37:30 +08:00
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<P>Various computations can be specified for execution during a
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simulation using the <A HREF = "compute.html">compute</A>,
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<A HREF = "compute_modify.html">compute_modify</A>, and <A HREF = "variable.html">variable</A>
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commands.
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</P>
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<P>Output options are set by the <A HREF = "thermo.html">thermo</A>, <A HREF = "dump.html">dump</A>,
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and <A HREF = "restart.html">restart</A> commands.
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2006-09-22 00:22:34 +08:00
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</P>
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<P>(4) Run a simulation
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</P>
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<P>A molecular dynamics simulation is run using the <A HREF = "run.html">run</A>
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command. Energy minimization (molecular statics) is performed using
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2006-09-22 00:22:34 +08:00
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the <A HREF = "minimize.html">minimize</A> command. A parallel tempering
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(replica-exchange) simulation can be run using the
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<A HREF = "temper.html">temper</A> command.
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</P>
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<HR>
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2011-08-26 01:01:01 +08:00
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<A NAME = "cmd_4"></A><H4>3.4 Commands listed by category
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2006-09-22 00:22:34 +08:00
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</H4>
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<P>This section lists all LAMMPS commands, grouped by category. The
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2011-08-26 01:01:01 +08:00
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<A HREF = "#cmd_5">next section</A> lists the same commands alphabetically. Note
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that some style options for some commands are part of specific LAMMPS
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packages, which means they cannot be used unless the package was
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included when LAMMPS was built. Not all packages are included in a
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default LAMMPS build. These dependencies are listed as Restrictions
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in the command's documentation.
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</P>
|
|
|
|
|
<P>Initialization:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "atom_modify.html">atom_modify</A>, <A HREF = "atom_style.html">atom_style</A>,
|
|
|
|
|
<A HREF = "boundary.html">boundary</A>, <A HREF = "dimension.html">dimension</A>,
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|
|
|
|
<A HREF = "newton.html">newton</A>, <A HREF = "processors.html">processors</A>, <A HREF = "units.html">units</A>
|
|
|
|
|
</P>
|
|
|
|
|
<P>Atom definition:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "create_atoms.html">create_atoms</A>, <A HREF = "create_box.html">create_box</A>,
|
2006-11-14 06:18:34 +08:00
|
|
|
<A HREF = "lattice.html">lattice</A>, <A HREF = "read_data.html">read_data</A>,
|
2012-06-02 00:41:20 +08:00
|
|
|
<A HREF = "read_dump.html">read_dump</A>, <A HREF = "read_restart.html">read_restart</A>,
|
|
|
|
|
<A HREF = "region.html">region</A>, <A HREF = "replicate.html">replicate</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
|
|
|
|
<P>Force fields:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "angle_coeff.html">angle_coeff</A>, <A HREF = "angle_style.html">angle_style</A>,
|
|
|
|
|
<A HREF = "bond_coeff.html">bond_coeff</A>, <A HREF = "bond_style.html">bond_style</A>,
|
|
|
|
|
<A HREF = "dielectric.html">dielectric</A>, <A HREF = "dihedral_coeff.html">dihedral_coeff</A>,
|
|
|
|
|
<A HREF = "dihedral_style.html">dihedral_style</A>,
|
|
|
|
|
<A HREF = "improper_coeff.html">improper_coeff</A>,
|
|
|
|
|
<A HREF = "improper_style.html">improper_style</A>,
|
|
|
|
|
<A HREF = "kspace_modify.html">kspace_modify</A>, <A HREF = "kspace_style.html">kspace_style</A>,
|
|
|
|
|
<A HREF = "pair_coeff.html">pair_coeff</A>, <A HREF = "pair_modify.html">pair_modify</A>,
|
|
|
|
|
<A HREF = "pair_style.html">pair_style</A>, <A HREF = "pair_write.html">pair_write</A>,
|
|
|
|
|
<A HREF = "special_bonds.html">special_bonds</A>
|
|
|
|
|
</P>
|
|
|
|
|
<P>Settings:
|
|
|
|
|
</P>
|
2011-04-14 05:39:34 +08:00
|
|
|
<P><A HREF = "communicate.html">communicate</A>, <A HREF = "group.html">group</A>, <A HREF = "mass.html">mass</A>,
|
|
|
|
|
<A HREF = "min_modify.html">min_modify</A>, <A HREF = "min_style.html">min_style</A>,
|
|
|
|
|
<A HREF = "neigh_modify.html">neigh_modify</A>, <A HREF = "neighbor.html">neighbor</A>,
|
|
|
|
|
<A HREF = "reset_timestep.html">reset_timestep</A>, <A HREF = "run_style.html">run_style</A>,
|
|
|
|
|
<A HREF = "set.html">set</A>, <A HREF = "timestep.html">timestep</A>, <A HREF = "velocity.html">velocity</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
|
|
|
|
<P>Fixes:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "fix.html">fix</A>, <A HREF = "fix_modify.html">fix_modify</A>, <A HREF = "unfix.html">unfix</A>
|
|
|
|
|
</P>
|
2007-02-10 05:37:30 +08:00
|
|
|
<P>Computes:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "compute.html">compute</A>, <A HREF = "compute_modify.html">compute_modify</A>,
|
|
|
|
|
<A HREF = "uncompute.html">uncompute</A>
|
|
|
|
|
</P>
|
2006-09-22 00:22:34 +08:00
|
|
|
<P>Output:
|
|
|
|
|
</P>
|
2011-07-15 05:28:46 +08:00
|
|
|
<P><A HREF = "dump.html">dump</A>, <A HREF = "dump_image.html">dump image</A>,
|
|
|
|
|
<A HREF = "dump_modify.html">dump_modify</A>, <A HREF = "restart.html">restart</A>,
|
|
|
|
|
<A HREF = "thermo.html">thermo</A>, <A HREF = "thermo_modify.html">thermo_modify</A>,
|
|
|
|
|
<A HREF = "thermo_style.html">thermo_style</A>, <A HREF = "undump.html">undump</A>,
|
|
|
|
|
<A HREF = "write_restart.html">write_restart</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
|
|
|
|
<P>Actions:
|
|
|
|
|
</P>
|
|
|
|
|
<P><A HREF = "delete_atoms.html">delete_atoms</A>, <A HREF = "delete_bonds.html">delete_bonds</A>,
|
2012-06-08 00:10:16 +08:00
|
|
|
<A HREF = "displace_atoms.html">displace_atoms</A>, <A HREF = "change_box.html">change_box</A>,
|
|
|
|
|
<A HREF = "minimize.html">minimize</A>, <A HREF = "neb.html">neb</A> <A HREF = "prd.html">prd</A>,
|
|
|
|
|
<A HREF = "rerun.html">rerun</A>, <A HREF = "run.html">run</A>, <A HREF = "temper.html">temper</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
|
|
|
|
<P>Miscellaneous:
|
|
|
|
|
</P>
|
2007-05-01 07:37:43 +08:00
|
|
|
<P><A HREF = "clear.html">clear</A>, <A HREF = "echo.html">echo</A>, <A HREF = "if.html">if</A>,
|
|
|
|
|
<A HREF = "include.html">include</A>, <A HREF = "jump.html">jump</A>, <A HREF = "label.html">label</A>,
|
|
|
|
|
<A HREF = "log.html">log</A>, <A HREF = "next.html">next</A>, <A HREF = "print.html">print</A>,
|
|
|
|
|
<A HREF = "shell.html">shell</A>, <A HREF = "variable.html">variable</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
|
|
|
|
<HR>
|
|
|
|
|
|
2011-08-26 01:01:01 +08:00
|
|
|
<H4><A NAME = "cmd_5"></A><A NAME = "comm"></A>3.5 Individual commands
|
2006-09-22 00:22:34 +08:00
|
|
|
</H4>
|
|
|
|
|
<P>This section lists all LAMMPS commands alphabetically, with a separate
|
2011-08-26 01:01:01 +08:00
|
|
|
listing below of styles within certain commands. The <A HREF = "#cmd_4">previous
|
|
|
|
|
section</A> lists the same commands, grouped by category. Note
|
|
|
|
|
that some style options for some commands are part of specific LAMMPS
|
2006-09-22 00:22:34 +08:00
|
|
|
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's documentation.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-02-10 02:22:07 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "angle_coeff.html">angle_coeff</A></TD><TD ><A HREF = "angle_style.html">angle_style</A></TD><TD ><A HREF = "atom_modify.html">atom_modify</A></TD><TD ><A HREF = "atom_style.html">atom_style</A></TD><TD ><A HREF = "balance.html">balance</A></TD><TD ><A HREF = "bond_coeff.html">bond_coeff</A></TD></TR>
|
2012-08-08 02:17:03 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "bond_style.html">bond_style</A></TD><TD ><A HREF = "boundary.html">boundary</A></TD><TD ><A HREF = "box.html">box</A></TD><TD ><A HREF = "change_box.html">change_box</A></TD><TD ><A HREF = "clear.html">clear</A></TD><TD ><A HREF = "communicate.html">communicate</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "compute.html">compute</A></TD><TD ><A HREF = "compute_modify.html">compute_modify</A></TD><TD ><A HREF = "create_atoms.html">create_atoms</A></TD><TD ><A HREF = "create_box.html">create_box</A></TD><TD ><A HREF = "delete_atoms.html">delete_atoms</A></TD><TD ><A HREF = "delete_bonds.html">delete_bonds</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "dielectric.html">dielectric</A></TD><TD ><A HREF = "dihedral_coeff.html">dihedral_coeff</A></TD><TD ><A HREF = "dihedral_style.html">dihedral_style</A></TD><TD ><A HREF = "dimension.html">dimension</A></TD><TD ><A HREF = "displace_atoms.html">displace_atoms</A></TD><TD ><A HREF = "dump.html">dump</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "dump_image.html">dump image</A></TD><TD ><A HREF = "dump_modify.html">dump_modify</A></TD><TD ><A HREF = "echo.html">echo</A></TD><TD ><A HREF = "fix.html">fix</A></TD><TD ><A HREF = "fix_modify.html">fix_modify</A></TD><TD ><A HREF = "group.html">group</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "if.html">if</A></TD><TD ><A HREF = "improper_coeff.html">improper_coeff</A></TD><TD ><A HREF = "improper_style.html">improper_style</A></TD><TD ><A HREF = "include.html">include</A></TD><TD ><A HREF = "jump.html">jump</A></TD><TD ><A HREF = "kspace_modify.html">kspace_modify</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "kspace_style.html">kspace_style</A></TD><TD ><A HREF = "label.html">label</A></TD><TD ><A HREF = "lattice.html">lattice</A></TD><TD ><A HREF = "log.html">log</A></TD><TD ><A HREF = "mass.html">mass</A></TD><TD ><A HREF = "minimize.html">minimize</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "min_modify.html">min_modify</A></TD><TD ><A HREF = "min_style.html">min_style</A></TD><TD ><A HREF = "neb.html">neb</A></TD><TD ><A HREF = "neigh_modify.html">neigh_modify</A></TD><TD ><A HREF = "neighbor.html">neighbor</A></TD><TD ><A HREF = "newton.html">newton</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "next.html">next</A></TD><TD ><A HREF = "package.html">package</A></TD><TD ><A HREF = "pair_coeff.html">pair_coeff</A></TD><TD ><A HREF = "pair_modify.html">pair_modify</A></TD><TD ><A HREF = "pair_style.html">pair_style</A></TD><TD ><A HREF = "pair_write.html">pair_write</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "partition.html">partition</A></TD><TD ><A HREF = "prd.html">prd</A></TD><TD ><A HREF = "print.html">print</A></TD><TD ><A HREF = "processors.html">processors</A></TD><TD ><A HREF = "quit.html">quit</A></TD><TD ><A HREF = "read_data.html">read_data</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "read_dump.html">read_dump</A></TD><TD ><A HREF = "read_restart.html">read_restart</A></TD><TD ><A HREF = "region.html">region</A></TD><TD ><A HREF = "replicate.html">replicate</A></TD><TD ><A HREF = "rerun.html">rerun</A></TD><TD ><A HREF = "reset_timestep.html">reset_timestep</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "restart.html">restart</A></TD><TD ><A HREF = "run.html">run</A></TD><TD ><A HREF = "run_style.html">run_style</A></TD><TD ><A HREF = "set.html">set</A></TD><TD ><A HREF = "shell.html">shell</A></TD><TD ><A HREF = "special_bonds.html">special_bonds</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "suffix.html">suffix</A></TD><TD ><A HREF = "tad.html">tad</A></TD><TD ><A HREF = "temper.html">temper</A></TD><TD ><A HREF = "thermo.html">thermo</A></TD><TD ><A HREF = "thermo_modify.html">thermo_modify</A></TD><TD ><A HREF = "thermo_style.html">thermo_style</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "timestep.html">timestep</A></TD><TD ><A HREF = "uncompute.html">uncompute</A></TD><TD ><A HREF = "undump.html">undump</A></TD><TD ><A HREF = "unfix.html">unfix</A></TD><TD ><A HREF = "units.html">units</A></TD><TD ><A HREF = "variable.html">variable</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "velocity.html">velocity</A></TD><TD ><A HREF = "write_restart.html">write_restart</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Fix styles
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "fix.html">fix</A> command for one-line descriptions
|
2007-10-03 05:55:02 +08:00
|
|
|
of each style or click on the style itself for a full description:
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-02-13 23:55:01 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_adapt.html">adapt</A></TD><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_append_atoms.html">append/atoms</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_atom.html">ave/atom</A></TD><TD ><A HREF = "fix_ave_correlate.html">ave/correlate</A></TD><TD ><A HREF = "fix_ave_histo.html">ave/histo</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD></TR>
|
2012-06-22 00:27:20 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_balance.html">balance</A></TD><TD ><A HREF = "fix_bond_break.html">bond/break</A></TD><TD ><A HREF = "fix_bond_create.html">bond/create</A></TD><TD ><A HREF = "fix_bond_swap.html">bond/swap</A></TD><TD ><A HREF = "fix_box_relax.html">box/relax</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_drag.html">drag</A></TD><TD ><A HREF = "fix_dt_reset.html">dt/reset</A></TD><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_evaporate.html">evaporate</A></TD><TD ><A HREF = "fix_external.html">external</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gcmc.html">gcmc</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_move.html">move</A></TD><TD ><A HREF = "fix_msst.html">msst</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_neb.html">neb</A></TD><TD ><A HREF = "fix_nh.html">nph</A></TD><TD ><A HREF = "fix_nphug.html">nphug</A></TD><TD ><A HREF = "fix_nph_asphere.html">nph/asphere</A></TD><TD ><A HREF = "fix_nph_sphere.html">nph/sphere</A></TD><TD ><A HREF = "fix_nh.html">npt</A></TD><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere</A></TD></TR>
|
2013-02-01 00:39:48 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_asphere_noforce.html">nve/asphere/noforce</A></TD><TD ><A HREF = "fix_nve_body.html">nve/body</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_line.html">nve/line</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_nve_tri.html">nve/tri</A></TD><TD ><A HREF = "fix_nh.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_qeq_comb.html">qeq/comb</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_restrain.html">restrain</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD></TR>
|
2013-02-13 07:18:09 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_rigid.html">rigid/nph</A></TD><TD ><A HREF = "fix_rigid.html">rigid/npt</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nve</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nvt</A></TD><TD ><A HREF = "fix_rigid.html">rigid/small</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_srd.html">srd</A></TD><TD ><A HREF = "fix_store_force.html">store/force</A></TD><TD ><A HREF = "fix_store_state.html">store/state</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall.html">wall/colloid</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall.html">wall/harmonic</A></TD><TD ><A HREF = "fix_wall.html">wall/lj126</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_wall.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_piston.html">wall/piston</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wall_region.html">wall/region</A></TD><TD ><A HREF = "fix_wall_srd.html">wall/srd</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2008-05-16 06:05:51 +08:00
|
|
|
<P>These are fix styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
2008-05-16 06:05:51 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-05-24 00:19:50 +08:00
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|
<TR ALIGN="center"><TD ><A HREF = "fix_addtorque.html">addtorque</A></TD><TD ><A HREF = "fix_atc.html">atc</A></TD><TD ><A HREF = "fix_colvars.html">colvars</A></TD><TD ><A HREF = "fix_imd.html">imd</A></TD><TD ><A HREF = "fix_langevin_eff.html">langevin/eff</A></TD><TD ><A HREF = "fix_meso.html">meso</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_meso_stationary.html">meso/stationary</A></TD><TD ><A HREF = "fix_nh_eff.html">nph/eff</A></TD><TD ><A HREF = "fix_nh_eff.html">npt/eff</A></TD><TD ><A HREF = "fix_nve_eff.html">nve/eff</A></TD><TD ><A HREF = "fix_nh_eff.html">nvt/eff</A></TD><TD ><A HREF = "fix_nvt_sllod_eff.html">nvt/sllod/eff</A></TD></TR>
|
2013-03-12 04:52:28 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_phonon.html">phonon</A></TD><TD ><A HREF = "fix_qeq_reax.html">qeq/reax</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/c/bonds</A></TD><TD ><A HREF = "fix_smd.html">smd</A></TD><TD ><A HREF = "fix_temp_rescale_eff.html">temp/rescale/eff</A>
|
2008-05-16 06:05:51 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-05-27 08:22:06 +08:00
|
|
|
<P>These are accelerated fix styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-10-07 01:32:51 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "fix_freeze.html">freeze/cuda</A></TD><TD ><A HREF = "fix_addforce.html">addforce/cuda</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce/cuda</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d/cuda</A></TD><TD ><A HREF = "fix_gravity.html">gravity/cuda</A></TD><TD ><A HREF = "fix_gravity.html">gravity/omp</A></TD></TR>
|
2013-02-16 01:36:33 +08:00
|
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|
<TR ALIGN="center"><TD ><A HREF = "fix_nh.html">nph/omp</A></TD><TD ><A HREF = "fix_nphug.html">nphug/omp</A></TD><TD ><A HREF = "fix_nph_asphere.html">nph/asphere/omp</A></TD><TD ><A HREF = "fix_nph_sphere.html">nph/sphere/omp</A></TD><TD ><A HREF = "fix_nh.html">npt/cuda</A></TD><TD ><A HREF = "fix_nh.html">npt/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "fix_npt_asphere.html">npt/asphere/omp</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere/omp</A></TD><TD ><A HREF = "fix_nh.html">nve/cuda</A></TD><TD ><A HREF = "fix_nve.html">nve/omp</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere/omp</A></TD><TD ><A HREF = "fix_nh.html">nvt/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nh.html">nvt/omp</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere/omp</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod/omp</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere/omp</A></TD><TD ><A HREF = "fix_qeq_comb.html">qeq/comb/omp</A></TD><TD ><A HREF = "fix_rigid.html">rigid/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_rigid.html">rigid/nph/omp</A></TD><TD ><A HREF = "fix_rigid.html">rigid/npt/omp</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nve/omp</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nvt/omp</A></TD><TD ><A HREF = "fix_rigid.html">rigid/small/omp</A></TD><TD ><A HREF = "fix_setforce.html">setforce/cuda</A></TD></TR>
|
2011-10-07 01:32:51 +08:00
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<TR ALIGN="center"><TD ><A HREF = "fix_shake.html">shake/cuda</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen/cuda</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale/cuda</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale/limit/cuda</A></TD><TD ><A HREF = "fix_viscous.html">viscous/cuda</A>
|
2011-05-27 08:22:06 +08:00
|
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|
</TD></TR></TABLE></DIV>
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|
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|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Compute styles
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "compute.html">compute</A> command for one-line descriptions of
|
|
|
|
|
each style or click on the style itself for a full description:
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-01 00:39:48 +08:00
|
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<TR ALIGN="center"><TD ><A HREF = "compute_angle_local.html">angle/local</A></TD><TD ><A HREF = "compute_atom_molecule.html">atom/molecule</A></TD><TD ><A HREF = "compute_body_local.html">body/local</A></TD><TD ><A HREF = "compute_bond_local.html">bond/local</A></TD><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_cluster_atom.html">cluster/atom</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "compute_cna_atom.html">cna/atom</A></TD><TD ><A HREF = "compute_com.html">com</A></TD><TD ><A HREF = "compute_com_molecule.html">com/molecule</A></TD><TD ><A HREF = "compute_contact_atom.html">contact/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_damage_atom.html">damage/atom</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "compute_dihedral_local.html">dihedral/local</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_erotate_sphere_atom.html">erotate/sphere/atom</A></TD><TD ><A HREF = "compute_event_displace.html">event/displace</A></TD></TR>
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|
|
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|
<TR ALIGN="center"><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_gyration.html">gyration</A></TD><TD ><A HREF = "compute_gyration_molecule.html">gyration/molecule</A></TD><TD ><A HREF = "compute_heat_flux.html">heat/flux</A></TD><TD ><A HREF = "compute_improper_local.html">improper/local</A></TD><TD ><A HREF = "compute_inertia_molecule.html">inertia/molecule</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "compute_ke.html">ke</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><TD ><A HREF = "compute_msd.html">msd</A></TD><TD ><A HREF = "compute_msd_molecule.html">msd/molecule</A></TD><TD ><A HREF = "compute_pair.html">pair</A></TD><TD ><A HREF = "compute_pair_local.html">pair/local</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_property_atom.html">property/atom</A></TD><TD ><A HREF = "compute_property_local.html">property/local</A></TD><TD ><A HREF = "compute_property_molecule.html">property/molecule</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "compute_rdf.html">rdf</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_reduce.html">reduce/region</A></TD><TD ><A HREF = "compute_slice.html">slice</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_profile.html">temp/profile</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A></TD><TD ><A HREF = "compute_ti.html">ti</A></TD><TD ><A HREF = "compute_voronoi_atom.html">voronoi/atom</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-10-03 05:55:02 +08:00
|
|
|
<P>These are compute styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
2007-10-03 05:55:02 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-08-28 04:09:27 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "compute_ackland_atom.html">ackland/atom</A></TD><TD ><A HREF = "compute_ke_eff.html">ke/eff</A></TD><TD ><A HREF = "compute_ke_atom_eff.html">ke/atom/eff</A></TD><TD ><A HREF = "compute_meso_e_atom.html">meso_e/atom</A></TD><TD ><A HREF = "compute_meso_rho_atom.html">meso_rho/atom</A></TD><TD ><A HREF = "compute_meso_t_atom.html">meso_t/atom</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "compute_temp_eff.html">temp/eff</A></TD><TD ><A HREF = "compute_temp_deform_eff.html">temp/deform/eff</A></TD><TD ><A HREF = "compute_temp_region_eff.html">temp/region/eff</A></TD><TD ><A HREF = "compute_temp_rotate.html">temp/rotate</A>
|
2007-10-03 05:55:02 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-05-27 08:22:06 +08:00
|
|
|
<P>These are accelerated compute styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-06-01 07:43:04 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "compute_pe.html">pe/cuda</A></TD><TD ><A HREF = "compute_pressure.html">pressure/cuda</A></TD><TD ><A HREF = "compute_temp.html">temp/cuda</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial/cuda</A>
|
2011-05-27 08:22:06 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Pair_style potentials
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "pair_style.html">pair_style</A> command for an overview of pair
|
|
|
|
|
potentials. Click on the style itself for a full description:
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-06-09 04:56:17 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid/overlay</A></TD><TD ><A HREF = "pair_adp.html">adp</A></TD></TR>
|
2013-02-01 00:39:48 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">airebo</A></TD><TD ><A HREF = "pair_beck.html">beck</A></TD><TD ><A HREF = "pair_body.html">body</A></TD><TD ><A HREF = "pair_bop.html">bop</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born</A></TD><TD ><A HREF = "pair_born.html">born/coul/long</A></TD><TD ><A HREF = "pair_born.html">born/coul/msm</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_brownian.html">brownian</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly</A></TD><TD ><A HREF = "pair_buck.html">buck</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD></TR>
|
|
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/msm</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long</A></TD><TD ><A HREF = "pair_colloid.html">colloid</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb</A></TD><TD ><A HREF = "pair_coul.html">coul/cut</A></TD><TD ><A HREF = "pair_coul.html">coul/debye</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long</A></TD><TD ><A HREF = "pair_coul.html">coul/msm</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat</A></TD><TD ><A HREF = "pair_dsmc.html">dsmc</A></TD><TD ><A HREF = "pair_eam.html">eam</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy</A></TD><TD ><A HREF = "pair_eam.html">eam/fs</A></TD><TD ><A HREF = "pair_eim.html">eim</A></TD><TD ><A HREF = "pair_gauss.html">gauss</A></TD></TR>
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|
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_gayberne.html">gayberne</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history</A></TD></TR>
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse</A></TD><TD ><A HREF = "pair_kim.html">kim</A></TD><TD ><A HREF = "pair_lcbop.html">lcbop</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_line_lj.html">line/lj</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/msm</A></TD><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf</A></TD></TR>
|
2013-03-08 05:22:06 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long</A></TD></TR>
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|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lj_long.html">lj/long/tip4p/long</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut</A></TD></TR>
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|
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|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_mie.html">mie/cut</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_peri.html">peri/lps</A></TD></TR>
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|
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/pmb</A></TD><TD ><A HREF = "pair_reax.html">reax</A></TD><TD ><A HREF = "pair_airebo.html">rebo</A></TD><TD ><A HREF = "pair_resquared.html">resquared</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid</A>
|
2007-10-03 05:55:02 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
|
|
|
|
<P>These are pair styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
2007-10-03 05:55:02 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-10-03 01:05:30 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_awpmd.html">awpmd/cut</A></TD><TD ><A HREF = "pair_coul_diel.html">coul/diel</A></TD><TD ><A HREF = "pair_dipole.html">dipole/sf</A></TD><TD ><A HREF = "pair_eam.html">eam/cd</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_edip.html">edip</A></TD><TD ><A HREF = "pair_eff.html">eff/cut</A></TD><TD ><A HREF = "pair_gauss.html">gauss/cut</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk</A></TD></TR>
|
2013-02-09 00:51:56 +08:00
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|
<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/msm</A></TD><TD ><A HREF = "pair_lj_sf.html">lj/sf</A></TD><TD ><A HREF = "pair_meam_spline.html">meam/spline</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_meam_sw_spline.html">meam/sw/spline</A></TD><TD ><A HREF = "pair_reax_c.html">reax/c</A></TD><TD ><A HREF = "pair_sph_heatconduction.html">sph/heatconduction</A></TD><TD ><A HREF = "pair_sph_idealgas.html">sph/idealgas</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_sph_lj.html">sph/lj</A></TD><TD ><A HREF = "pair_sph_rhosum.html">sph/rhosum</A></TD><TD ><A HREF = "pair_sph_taitwater.html">sph/taitwater</A></TD><TD ><A HREF = "pair_sph_taitwater_morris.html">sph/taitwater/morris</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff/table</A>
|
2006-09-22 00:22:34 +08:00
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|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-05-27 08:22:06 +08:00
|
|
|
<P>These are accelerated pair styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
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|
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|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-03-02 23:44:23 +08:00
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_adp.html">adp/omp</A></TD><TD ><A HREF = "pair_airebo.html">airebo/omp</A></TD><TD ><A HREF = "pair_beck.html">beck/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/cuda</A></TD></TR>
|
2013-01-22 00:35:54 +08:00
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|
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/msm/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD><TD ><A HREF = "pair_born.html">born/gpu</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/msm/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_colloid.html">colloid/gpu</A></TD><TD ><A HREF = "pair_colloid.html">colloid/omp</A></TD><TD ><A HREF = "pair_comb.html">comb/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/cut/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/long/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/long/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/msm/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut/gpu</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">dipole/sf/gpu</A></TD><TD ><A HREF = "pair_dipole.html">dipole/sf/omp</A></TD><TD ><A HREF = "pair_dpd.html">dpd/omp</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/cd/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_edip.html">edip/omp</A></TD><TD ><A HREF = "pair_eim.html">eim/omp</A></TD><TD ><A HREF = "pair_gauss.html">gauss/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gauss.html">gauss/omp</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/msm/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/opt</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD></TR>
|
2013-03-08 05:22:06 +08:00
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|
|
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/opt</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/opt</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/omp</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/msm/omp</A></TD><TD ><A HREF = "pair_lj_sf.html">lj/sf/omp</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/cuda</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/omp</A></TD></TR>
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|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear/omp</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/cuda</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/omp</A></TD></TR>
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|
|
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|
<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate/omp</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly/omp</A></TD><TD ><A HREF = "pair_meam_spline.html">meam/spline/omp</A></TD><TD ><A HREF = "pair_morse.html">morse/cuda</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD><TD ><A HREF = "pair_morse.html">morse/omp</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_peri.html">peri/lps/omp</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/pmb/omp</A></TD><TD ><A HREF = "pair_airebo.html">rebo/omp</A></TD><TD ><A HREF = "pair_resquared.html">resquared/gpu</A></TD><TD ><A HREF = "pair_resquared.html">resquared/omp</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft/omp</A></TD><TD ><A HREF = "pair_sw.html">sw/cuda</A></TD><TD ><A HREF = "pair_sw.html">sw/omp</A></TD><TD ><A HREF = "pair_table.html">table/gpu</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_table.html">table/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/cuda</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/table/omp</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl/omp</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj/omp</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/gpu</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/gpu</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/omp</A>
|
2011-05-27 08:22:06 +08:00
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|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Bond_style potentials
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "bond_style.html">bond_style</A> command for an overview of bond
|
|
|
|
|
potentials. Click on the style itself for a full description:
|
2007-02-10 05:37:30 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2007-02-10 05:37:30 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_none.html">none</A></TD><TD WIDTH="100"><A HREF = "bond_hybrid.html">hybrid</A></TD><TD WIDTH="100"><A HREF = "bond_class2.html">class2</A></TD><TD WIDTH="100"><A HREF = "bond_fene.html">fene</A></TD></TR>
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|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_fene_expand.html">fene/expand</A></TD><TD WIDTH="100"><A HREF = "bond_harmonic.html">harmonic</A></TD><TD WIDTH="100"><A HREF = "bond_morse.html">morse</A></TD><TD WIDTH="100"><A HREF = "bond_nonlinear.html">nonlinear</A></TD></TR>
|
2009-08-11 04:13:44 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_quartic.html">quartic</A></TD><TD WIDTH="100"><A HREF = "bond_table.html">table</A>
|
2007-02-10 05:37:30 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-08-09 06:53:15 +08:00
|
|
|
<P>These are bond styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
2011-08-09 06:53:15 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-08-09 06:53:15 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "bond_harmonic_shift.html">harmonic/shift</A></TD><TD ><A HREF = "bond_harmonic_shift_cut.html">harmonic/shift/cut</A>
|
|
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-12-01 23:35:32 +08:00
|
|
|
<P>These are accelerated bond styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-12-01 23:35:32 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_class2.html">class2/omp</A></TD><TD WIDTH="100"><A HREF = "bond_fene.html">fene/omp</A></TD><TD WIDTH="100"><A HREF = "bond_fene_expand.html">fene/expand/omp</A></TD><TD WIDTH="100"><A HREF = "bond_harmonic.html">harmonic/omp</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_harmonic_shift.html">harmonic/shift/omp</A></TD><TD WIDTH="100"><A HREF = "bond_harmonic_shift_cut.html">harmonic/shift/cut/omp</A></TD><TD WIDTH="100"><A HREF = "bond_morse.html">morse/omp</A></TD><TD WIDTH="100"><A HREF = "bond_nonlinear.html">nonlinear/omp</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "bond_quartic.html">quartic/omp</A></TD><TD WIDTH="100"><A HREF = "bond_table.html">table/omp</A>
|
|
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Angle_style potentials
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "angle_style.html">angle_style</A> command for an overview of
|
|
|
|
|
angle potentials. Click on the style itself for a full description:
|
2006-09-22 00:22:34 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2007-02-10 05:37:30 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_none.html">none</A></TD><TD WIDTH="100"><A HREF = "angle_hybrid.html">hybrid</A></TD><TD WIDTH="100"><A HREF = "angle_charmm.html">charmm</A></TD><TD WIDTH="100"><A HREF = "angle_class2.html">class2</A></TD></TR>
|
2010-10-26 04:30:15 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_cosine.html">cosine</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_delta.html">cosine/delta</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_periodic.html">cosine/periodic</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_squared.html">cosine/squared</A></TD></TR>
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|
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_harmonic.html">harmonic</A></TD><TD WIDTH="100"><A HREF = "angle_table.html">table</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2008-02-09 05:01:37 +08:00
|
|
|
<P>These are angle styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
2008-02-09 05:01:37 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
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<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-10-27 07:04:41 +08:00
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<TR ALIGN="center"><TD ><A HREF = "angle_sdk.html">sdk</A></TD><TD ><A HREF = "angle_cosine_shift.html">cosine/shift</A></TD><TD ><A HREF = "angle_cosine_shift_exp.html">cosine/shift/exp</A></TD><TD ><A HREF = "angle_dipole.html">dipole</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "angle_fourier.html">fourier</A></TD><TD ><A HREF = "angle_fourier_simple.html">fourier/simple</A></TD><TD ><A HREF = "angle_quartic.html">quartic</A>
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2011-12-01 23:35:32 +08:00
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</TD></TR></TABLE></DIV>
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|
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|
<P>These are accelerated angle styles, which can be used if LAMMPS is
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|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
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package</A>.
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</P>
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2013-03-05 05:38:12 +08:00
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<DIV ALIGN=center><TABLE BORDER=1 >
|
2011-12-01 23:35:32 +08:00
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<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_charmm.html">charmm/omp</A></TD><TD WIDTH="100"><A HREF = "angle_class2.html">class2/omp</A></TD><TD WIDTH="100"><A HREF = "angle_cosine.html">cosine/omp</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_delta.html">cosine/delta/omp</A></TD></TR>
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<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_cosine_periodic.html">cosine/periodic/omp</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_shift.html">cosine/shift/omp</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_shift_exp.html">cosine/shift/exp/omp</A></TD><TD WIDTH="100"><A HREF = "angle_cosine_squared.html">cosine/squared/omp</A></TD></TR>
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2013-02-09 00:51:56 +08:00
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<TR ALIGN="center"><TD WIDTH="100"><A HREF = "angle_dipole.html">dipole/omp</A><A HREF = "angle_fourier.html">fourier/omp</A></TD><TD WIDTH="100"><A HREF = "angle_fourier_simple.html">fourier/simple/omp</A></TD><TD WIDTH="100"><A HREF = "angle_harmonic.html">harmonic/omp</A></TD><TD WIDTH="100"><A HREF = "angle_quartic.html">quartic/omp</A><A HREF = "angle_table.html">table/omp</A>
|
2008-02-09 05:01:37 +08:00
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</TD></TR></TABLE></DIV>
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2007-02-10 05:37:30 +08:00
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<HR>
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|
2009-11-05 06:17:11 +08:00
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<H4>Dihedral_style potentials
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</H4>
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<P>See the <A HREF = "dihedral_style.html">dihedral_style</A> command for an overview
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of dihedral potentials. Click on the style itself for a full
|
2007-02-10 05:37:30 +08:00
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description:
|
2006-09-22 00:22:34 +08:00
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</P>
|
2013-03-05 05:38:12 +08:00
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<DIV ALIGN=center><TABLE BORDER=1 >
|
2007-02-10 05:37:30 +08:00
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<TR ALIGN="center"><TD WIDTH="100"><A HREF = "dihedral_none.html">none</A></TD><TD WIDTH="100"><A HREF = "dihedral_hybrid.html">hybrid</A></TD><TD WIDTH="100"><A HREF = "dihedral_charmm.html">charmm</A></TD><TD WIDTH="100"><A HREF = "dihedral_class2.html">class2</A></TD></TR>
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<TR ALIGN="center"><TD WIDTH="100"><A HREF = "dihedral_harmonic.html">harmonic</A></TD><TD WIDTH="100"><A HREF = "dihedral_helix.html">helix</A></TD><TD WIDTH="100"><A HREF = "dihedral_multi_harmonic.html">multi/harmonic</A></TD><TD WIDTH="100"><A HREF = "dihedral_opls.html">opls</A>
|
2006-09-22 00:22:34 +08:00
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</TD></TR></TABLE></DIV>
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|
2011-08-09 06:53:15 +08:00
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<P>These are dihedral styles contributed by users, which can be used if
|
2011-08-26 00:46:23 +08:00
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|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
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package</A>.
|
2011-08-09 06:53:15 +08:00
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</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2012-10-27 07:04:41 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "dihedral_cosine_shift_exp.html">cosine/shift/exp</A></TD><TD ><A HREF = "dihedral_fourier.html">fourier</A></TD><TD ><A HREF = "dihedral_nharmonic.html">nharmonic</A></TD><TD ><A HREF = "dihedral_quadratic.html">quadratic</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "dihedral_table.html">table</A>
|
2011-08-09 06:53:15 +08:00
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</TD></TR></TABLE></DIV>
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|
2011-10-07 01:32:51 +08:00
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|
<P>These are accelerated dihedral styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
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|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-09 00:51:56 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "dihedral_charmm.html">charmm/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_class2.html">class2/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_cosine_shift_exp.html">cosine/shift/exp/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_fourier.html">fourier/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "dihedral_harmonic.html">harmonic/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_helix.html">helix/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_multi_harmonic.html">multi/harmonic/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_nharmonic.html">nharmonic/omp</A></TD></TR>
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|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "dihedral_opls.html">opls/omp</A><A HREF = "dihedral_quadratic.html">quadratic/omp</A></TD><TD WIDTH="100"><A HREF = "dihedral_table.html">table/omp</A>
|
2011-10-07 01:32:51 +08:00
|
|
|
</TD></TR></TABLE></DIV>
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|
2007-02-10 05:37:30 +08:00
|
|
|
<HR>
|
|
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|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Improper_style potentials
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "improper_style.html">improper_style</A> command for an overview
|
|
|
|
|
of improper potentials. Click on the style itself for a full
|
2006-09-22 00:22:34 +08:00
|
|
|
description:
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2007-02-10 05:37:30 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "improper_none.html">none</A></TD><TD WIDTH="100"><A HREF = "improper_hybrid.html">hybrid</A></TD><TD WIDTH="100"><A HREF = "improper_class2.html">class2</A></TD><TD WIDTH="100"><A HREF = "improper_cvff.html">cvff</A></TD></TR>
|
2010-10-26 04:30:15 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "improper_harmonic.html">harmonic</A></TD><TD WIDTH="100"><A HREF = "improper_umbrella.html">umbrella</A>
|
2006-09-22 00:22:34 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2012-05-23 00:09:28 +08:00
|
|
|
<P>These are improper styles contributed by users, which can be used if
|
|
|
|
|
<A HREF = "Section_start.html#start_3">LAMMPS is built with the appropriate
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-09 00:51:56 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "improper_cossq.html">cossq</A></TD><TD ><A HREF = "improper_fourier.html">fourier</A></TD><TD ><A HREF = "improper_ring.html">ring</A>
|
2012-05-23 00:09:28 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-12-01 23:35:32 +08:00
|
|
|
<P>These are accelerated improper styles, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-09 00:51:56 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "improper_class2.html">class2/omp</A></TD><TD WIDTH="100"><A HREF = "improper_cossq.html">cossq/omp</A></TD><TD WIDTH="100"><A HREF = "improper_cvff.html">cvff/omp</A></TD><TD WIDTH="100"><A HREF = "improper_fourier.html">fourier/omp</A></TD></TR>
|
2012-10-27 07:04:41 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "improper_harmonic.html">harmonic/omp</A></TD><TD WIDTH="100"><A HREF = "improper_ring.html">ring/omp</A></TD><TD WIDTH="100"><A HREF = "improper_umbrella.html">umbrella/omp</A>
|
2011-12-01 23:35:32 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2007-02-23 00:59:04 +08:00
|
|
|
<HR>
|
|
|
|
|
|
2009-11-05 06:17:11 +08:00
|
|
|
<H4>Kspace solvers
|
|
|
|
|
</H4>
|
|
|
|
|
<P>See the <A HREF = "kspace_style.html">kspace_style</A> command for an overview of
|
|
|
|
|
Kspace solvers. Click on the style itself for a full description:
|
2007-02-23 00:59:04 +08:00
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-09 00:51:56 +08:00
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "kspace_style.html">ewald</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">ewald/disp</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">msm</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">msm/cg</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "kspace_style.html">pppm</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">pppm/cg</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">pppm/disp</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">pppm/disp/tip4p</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD WIDTH="100"><A HREF = "kspace_style.html">pppm/tip4p</A>
|
2007-10-03 05:55:02 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2011-05-27 08:22:06 +08:00
|
|
|
<P>These are accelerated Kspace solvers, which can be used if LAMMPS is
|
|
|
|
|
built with the <A HREF = "Section_accelerate.html">appropriate accelerated
|
|
|
|
|
package</A>.
|
|
|
|
|
</P>
|
2013-03-05 05:38:12 +08:00
|
|
|
<DIV ALIGN=center><TABLE BORDER=1 >
|
2013-02-09 00:51:56 +08:00
|
|
|
<TR ALIGN="center"><TD ><A HREF = "kspace_style.html">ewald/omp</A></TD><TD ><A HREF = "kspace_style.html">msm/omp</A></TD><TD ><A HREF = "kspace_style.html">msm/cg/omp</A></TD><TD ><A HREF = "kspace_style.html">pppm/cuda</A></TD></TR>
|
|
|
|
|
<TR ALIGN="center"><TD ><A HREF = "kspace_style.html">pppm/gpu</A></TD><TD ><A HREF = "kspace_style.html">pppm/omp</A></TD><TD ><A HREF = "kspace_style.html">pppm/cg/omp</A></TD><TD ><A HREF = "kspace_style.html">pppm/tip4p/omp</A>
|
2011-05-27 08:22:06 +08:00
|
|
|
</TD></TR></TABLE></DIV>
|
|
|
|
|
|
2006-09-22 00:22:34 +08:00
|
|
|
</HTML>
|
