forked from lijiext/lammps
Added fix wall/body/polygon and related doc pages
This commit is contained in:
Trung Nguyen
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6438cffa57
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix wall/body/polygon command :h3
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[Syntax:]
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fix ID group-ID wall/body/polygon k_n c_n c_t wallstyle args keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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wall/body/polygon = style name of this fix command :l
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k_n = normal repulsion strength (force/distance units or pressure units - see discussion below) :l
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c_n = normal damping coefficient (force/distance units or pressure units - see discussion below) :l
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c_t = tangential damping coefficient (force/distance units or pressure units - see discussion below) :l
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wallstyle = {xplane} or {yplane} or {zplane} or {zcylinder} :l
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args = list of arguments for a particular style :l
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{xplane} or {yplane} args = lo hi
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lo,hi = position of lower and upper plane (distance units), either can be NULL)
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{zcylinder} args = radius
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radius = cylinder radius (distance units) :pre
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zero or more keyword/value pairs may be appended to args :l
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keyword = {wiggle} :l
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{wiggle} values = dim amplitude period
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dim = {x} or {y} or {z}
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amplitude = size of oscillation (distance units)
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period = time of oscillation (time units) :pre
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:ule
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[Examples:]
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fix 1 all wall/body/polygon 1000.0 20.0 5.0 xplane -10.0 10.0
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[Description:]
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Bound the simulation domain of systems of body particles of style
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body/rounded/polygon with wall(s). All particles in the group interact
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with the wall when they are close enough to touch it.
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The nature of the interaction between the wall and the polygons is
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the same as that between the polygons themselves, which is similar to the Hookean potential.
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This fix is designed for use with the "body/rounded/polygon" body style,
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which is specified as an argument to the "atom-style body" command.
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The parameters {k_n}, {c_n}, {c_t} have the same meaning and units as those specified with the
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"pair_style body/rounded/polygon"_pair_body_rounded_polygon.html commands.
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The {wallstyle} can be planar or cylindrical. The 3 planar options
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specify a pair of walls in a dimension. Wall positions are given by
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{lo} and {hi}. Either of the values can be specified as NULL if a
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single wall is desired. For a {zcylinder} wallstyle, the cylinder's
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axis is at x = y = 0.0, and the radius of the cylinder is specified.
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Optionally, the wall can be moving, if the {wiggle} keyword is appended.
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For the {wiggle} keyword, the wall oscillates sinusoidally, similar to
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the oscillations of particles which can be specified by the
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"fix move"_fix_move.html command. This is useful in packing
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simulations of particles. The arguments to the {wiggle}
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keyword specify a dimension for the motion, as well as it's
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{amplitude} and {period}. Note that if the dimension is in the plane
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of the wall, this is effectively a shearing motion. If the dimension
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is perpendicular to the wall, it is more of a shaking motion. A
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{zcylinder} wall can only be wiggled in the z dimension.
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Each timestep, the position of a wiggled wall in the appropriate {dim}
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is set according to this equation:
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position = coord + A - A cos (omega * delta) :pre
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where {coord} is the specified initial position of the wall, {A} is
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the {amplitude}, {omega} is 2 PI / {period}, and {delta} is the time
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elapsed since the fix was specified. The velocity of the wall is set
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to the derivative of this expression.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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None of the "fix_modify"_fix_modify.html options are relevant to this
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fix. No global or per-atom quantities are stored by this fix for
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access by various "output commands"_Section_howto.html#howto_15. No
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parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command. This fix is not invoked during "energy
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minimization"_minimize.html.
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[Restrictions:]
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This fix is part of the BODY package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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Any dimension (xyz) that has a wall must be non-periodic.
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[Related commands:]
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"pair_style body/rounded/polygon"_pair_body_rounded_polygon.html
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[Default:] none
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@ -0,0 +1,100 @@
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix wall/body/polyhedron command :h3
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[Syntax:]
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fix ID group-ID wall/body/polyhedron k_n c_n c_t wallstyle args keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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wall/body/polyhedron = style name of this fix command :l
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k_n = normal repulsion strength (force/distance units or pressure units - see discussion below) :l
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c_n = normal damping coefficient (force/distance units or pressure units - see discussion below) :l
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c_t = tangential damping coefficient (force/distance units or pressure units - see discussion below) :l
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wallstyle = {xplane} or {yplane} or {zplane} or {zcylinder} :l
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args = list of arguments for a particular style :l
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{xplane} or {yplane} args = lo hi
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lo,hi = position of lower and upper plane (distance units), either can be NULL)
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{zcylinder} args = radius
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radius = cylinder radius (distance units) :pre
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zero or more keyword/value pairs may be appended to args :l
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keyword = {wiggle} :l
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{wiggle} values = dim amplitude period
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dim = {x} or {y} or {z}
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amplitude = size of oscillation (distance units)
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period = time of oscillation (time units) :pre
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:ule
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[Examples:]
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fix 1 all wall/body/polyhedron 1000.0 20.0 5.0 xplane -10.0 10.0
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[Description:]
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Bound the simulation domain of systems of body particles of style
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body/rounded/polyhedron with wall(s). All particles in the group interact
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with the wall when they are close enough to touch it.
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The nature of the interaction between the wall and the polygons is
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the same as that between the polygons themselves, which is similar to the Hookean potential.
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This fix is designed for use with the "body/rounded/polyhedron" body style,
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which is specified as an argument to the "atom-style body" command.
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The parameters {k_n}, {c_n}, {c_t} have the same meaning and units as those specified with the
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"pair_style body/rounded/polyhedron"_pair_body_rounded_polygon.html commands.
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The {wallstyle} can be planar or cylindrical. The 3 planar options
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specify a pair of walls in a dimension. Wall positions are given by
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{lo} and {hi}. Either of the values can be specified as NULL if a
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single wall is desired. For a {zcylinder} wallstyle, the cylinder's
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axis is at x = y = 0.0, and the radius of the cylinder is specified.
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Optionally, the wall can be moving, if the {wiggle} keyword is appended.
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For the {wiggle} keyword, the wall oscillates sinusoidally, similar to
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the oscillations of particles which can be specified by the
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"fix move"_fix_move.html command. This is useful in packing
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simulations of particles. The arguments to the {wiggle}
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keyword specify a dimension for the motion, as well as it's
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{amplitude} and {period}. Note that if the dimension is in the plane
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of the wall, this is effectively a shearing motion. If the dimension
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is perpendicular to the wall, it is more of a shaking motion. A
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{zcylinder} wall can only be wiggled in the z dimension.
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Each timestep, the position of a wiggled wall in the appropriate {dim}
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is set according to this equation:
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position = coord + A - A cos (omega * delta) :pre
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where {coord} is the specified initial position of the wall, {A} is
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the {amplitude}, {omega} is 2 PI / {period}, and {delta} is the time
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elapsed since the fix was specified. The velocity of the wall is set
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to the derivative of this expression.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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None of the "fix_modify"_fix_modify.html options are relevant to this
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fix. No global or per-atom quantities are stored by this fix for
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access by various "output commands"_Section_howto.html#howto_15. No
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parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command. This fix is not invoked during "energy
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minimization"_minimize.html.
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[Restrictions:]
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This fix is part of the BODY package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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Any dimension (xyz) that has a wall must be non-periodic.
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[Related commands:]
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"pair_style body/rounded/polyhedron"_pair_body_rounded_polygon.html
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[Default:] none
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@ -53,8 +53,8 @@ the examples above, or in the data file or restart files read by the
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"read_data"_read_data.html or "read_restart"_read_restart.html
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commands:
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k_n (energy/distance^2)
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k_na (energy/distance^2) :ul
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k_n (energy/distance^2 units)
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k_na (energy/distance^2 units) :ul
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[Related commands:]
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@ -53,8 +53,8 @@ the examples above, or in the data file or restart files read by the
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"read_data"_read_data.html or "read_restart"_read_restart.html
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commands:
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k_n (energy/distance^2)
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k_na (energy/distance^2) :ul
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k_n (energy/distance^2 units)
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k_na (energy/distance^2 units) :ul
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[Related commands:]
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@ -45,7 +45,9 @@ class FixWallBodyPolygon : public Fix {
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protected:
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int wallstyle,pairstyle,wiggle,axis;
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double kn,c_n,c_t;
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double kn; // normal repulsion strength
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double c_n; // normal damping coefficient
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double c_t; // tangential damping coefficient
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double lo,hi,cylradius;
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double amplitude,period,omega;
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double dt;
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