forked from lijiext/lammps
114 lines
4.7 KiB
HTML
114 lines
4.7 KiB
HTML
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<CENTER><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>
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<HR>
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<H3>region command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>region ID style args keyword value ...
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</PRE>
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<UL><LI>ID = user-assigned name for the region
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<LI>style = <I>block</I> or <I>sphere</I> or <I>cylinder</I> or <I>union</I> or <I>intersect</I>
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<PRE> <I>block</I> args = xlo xhi ylo yhi zlo zhi
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xlo,xhi,ylo,yhi,zlo,zhi = bounds of block in all
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dimensions (distance units)
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<I>sphere</I> args = x y z radius
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x,y,z = center of sphere (distance units)
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radius = radius of sphere (distance units)
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<I>cylinder</I> args = dim c1 c2 radius lo hi
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dim = <I>x</I> or <I>y</I> or <I>z</I> = axis of cylinder
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c1,c2 = coords of cylinder axis in other 2 dimensions (distance units)
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radius = cylinder radius (distance units)
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lo,hi = bounds of cylinder in dim (distance units)
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<I>union</I> args = N reg-ID1 reg-ID2 ...
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N = # of regions to follow, must be 2 or greater
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reg-ID1,reg-ID2, ... = IDs of regions to join together
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<I>intersect</I> args = N reg-ID1 reg-ID2 ...
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N = # of regions to follow, must be 2 or greater
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reg-ID1,reg-ID2, ... = IDs of regions to intersect
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</PRE>
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<LI>zero or more keyword/value pairs may be appended to the args
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<LI>keyword = <I>side</I> or <I>units</I>
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<PRE> <I>side</I> value = <I>in</I> or <I>out</I>
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<I>in</I> = the region is inside the specified geometry
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<I>out</I> = the region is outside the specified geometry
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<I>units</I> value = <I>lattice</I> or <I>box</I>
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<I>lattice</I> = the geometry is defined in lattice units
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<I>box</I> = the geometry is defined in simulation box units
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>region 1 block -3.0 5.0 INF 10.0 INF INF
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region 2 sphere 0.0 0.0 0.0 5 side out
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region void cylinder y 2 3 5 -5.0 INF units box
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region outside union 4 side1 side2 side3 side4
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>This command defines a geometric region of space. Various other
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commands use regions. For example, the region can be filled with
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atoms via the <A HREF = "create_atoms.html">create_atoms</A> command. Or the atoms
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in the region can be identified as a group via the <A HREF = "group.html">group</A>
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command, or deleted via the <A HREF = "delete_atoms.html">delete_atoms</A> command.
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</P>
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<P>The lo/hi values for <I>block</I> or <I>cylinder</I> styles can be specified
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as INF which means they extend all the way to the global simulation
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box boundary. If a region is defined before the simulation box has
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been created (via <A HREF = "create_box.html">create_box</A> or
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<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
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commands), then an INF parameter cannot be used.
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</P>
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<P>For style <I>cylinder</I>, the c1,c2 params are coordinates in the 2 other
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dimensions besides the cylinder axis dimension. For dim = x, c1/c2 =
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y/z; for dim = y, c1/c2 = x/z; for dim = z, c1/c2 = x/y. Thus the
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third example above specifes a cylinder with its axis in the
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y-direction located at x = 2.0 and z = 3.0, with a radius of 5.0, and
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extending in the y-direction from -5.0 to the upper box boundary.
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</P>
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<P>The <I>union</I> style creates a region consisting of the volume of all the
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listed regions combined. The <I>intesect</I> style creates a region
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consisting of the volume that is common to all the listed regions.
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</P>
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<P>The <I>side</I> keyword determines whether the region is considered to be
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inside or outside of the specified geometry. Using this keyword in
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conjunction with <I>union</I> and <I>intersect</I> regions, complex geometries
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can be built up. For example, if the interior of two spheres were
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each defined as regions, and a <I>union</I> style with <I>side</I> = out was
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constructed listing the region-IDs of the 2 spheres, the resulting
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region would be all the volume in the simulation box that was outside
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both of the spheres.
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</P>
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<P>The <I>units</I> keyword determines the meaning of the distance units used
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to define the region. A <I>box</I> value selects standard distance units
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as defined by the <A HREF = "units.html">units</A> command, e.g. Angstroms for units
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= real or metal. A <I>lattice</I> value means the distance units are in
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cubic lattice spacings. The <A HREF = "lattice.html">lattice</A> command must first
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be used to define a lattice.
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</P>
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<P><B>Restrictions:</B> none
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "lattice.html">lattice</A>, <A HREF = "create_atoms.html">create_atoms</A>,
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<A HREF = "delete_atoms.html">delete_atoms</A>, <A HREF = "group.html">group</A>
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</P>
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<P><B>Default:</B>
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</P>
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<P>The option defaults are side = in and units = lattice.
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</P>
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</HTML>
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