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rLAMMPS lammps
fix_gravity.html
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<HTML>
<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>
</CENTER>
<HR>
<H3>
fix gravity command
</H3>
<H3>
fix gravity/cuda command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
fix ID group gravity style magnitude args
</PRE>
<UL><LI>
ID, group are documented in
<A
HREF =
"fix.html"
>
fix
</A>
command
<LI>
gravity = style name of this fix command
<LI>
magnitude = size of acceleration (force/mass units)
<LI>
style =
<I>
chute
</I>
or
<I>
spherical
</I>
or
<I>
gradient
</I>
or
<I>
vector
</I>
<PRE>
<I>
chute
</I>
args = angle
angle = angle in +x away from -z or -y axis in 3d/2d (in degrees)
<I>
spherical
</I>
args = phi theta
phi = azimuthal angle from +x axis (in degrees)
theta = angle from +z or +y axis in 3d/2d (in degrees)
<I>
gradient
</I>
args = phi theta phi_grad theta_grad
phi = azimuthal angle from +x axis (in degrees)
theta = angle from +z or +y axis in 3d/2d (in degrees)
phi_grad = rate of change of angle phi (full rotations per time unit)
theta_grad = rate of change of angle theta (full rotations per time unit)
<I>
vector
</I>
args = x y z
x y z = vector direction to apply the acceleration
</PRE>
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
fix 1 all gravity 1.0 chute 24.0
fix 1 all gravity 1.0 spherical 0.0 -180.0
fix 1 all gravity 1.0 gradient 0.0 -180.0 0.0 0.1
fix 1 all gravity 100.0 vector 1 1 0
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Impose an additional acceleration on each particle in the group. This
fix is typically used with granular systems to include a "gravity"
term acting on the macroscopic particles. More generally, it can
represent any kind of driving field, e.g. a pressure gradient inducing
a Poiseuille flow in a fluid. Note that this fix operates differently
than the
<A
HREF =
"fix_addforce.html"
>
fix addforce
</A>
command. The addforce fix
adds the same force to each atom, independent of its mass. This
command imparts the same acceleration to each atom (force/mass).
</P>
<P>
The
<I>
magnitude
</I>
of the acceleration is specified in force/mass units.
For granular systems (LJ units) this is typically 1.0. See the
<A
HREF =
"units.html"
>
units
</A>
command for details.
</P>
<P>
Style
<I>
chute
</I>
is typically used for simulations of chute flow where
the specified angle is the chute angle, with flow occurring in the +x
direction. For 3d systems, the tilt is away from the z axis; for 2d
systems, the tilt is away from the y axis.
</P>
<P>
Style
<I>
spherical
</I>
allows an arbitrary 3d direction to be specified for
the acceleration vector. Phi and theta are defined in the usual
spherical coordinates. Thus for acceleration acting in the -z
direction, theta would be 180.0 (or -180.0). Theta = 90.0 and phi =
-90.0 would mean acceleration acts in the -y direction. For 2d
systems,
<I>
phi
</I>
is ignored and
<I>
theta
</I>
is an angle in the xy plane
where theta = 0.0 is the y-axis.
</P>
<P>
Style
<I>
gradient
</I>
is the same as style
<I>
spherical
</I>
except that the
direction of the acceleration vector is time dependent. The units of
the gradient arguments are in full rotations per time unit. E.g. a
timestep of 0.001 and a gradient of 0.1 means the acceleration vector
would rotate thru 360 degrees every 10,000 timesteps. For the
time-dependent case, the initial direction of the acceleration vector
is set to phi,theta when the fix is specified and evolves thereafter.
For 2d systems,
<I>
phi
</I>
and
<I>
phi_grad
</I>
are ignored.
</P>
<P>
Style
<I>
vector
</I>
imposes an acceleration in the vector direction given
by (x,y,z). For 2d systems, the z component is ignored.
</P>
<HR>
<P>
Styles with a
<I>
cuda
</I>
suffix are functionally the same as the
corresponding style without the suffix. They have been optimized to
run faster, depending on your available hardware, as discussed in
<A
HREF =
"Section_accelerate.html"
>
this section
</A>
of the manual. The accelerated
styles take the same arguments and should produce the same results,
except for round-off and precision issues.
</P>
<P>
These accelerated styles are part of the USER-CUDA package. They are
only enabled if LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#start_3"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P>
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the
<A
HREF =
"Section_start.html#start_6"
>
-suffix command-line
switch
</A>
when you invoke LAMMPS, or you can
use the
<A
HREF =
"suffix.html"
>
suffix
</A>
command in your input script.
</P>
<P>
See
<A
HREF =
"Section_accelerate.html"
>
this section
</A>
of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>
Restart, fix_modify, output, run start/stop, minimize info:
</B>
</P>
<P>
No information about this fix is written to
<A
HREF =
"restart.html"
>
binary restart
files
</A>
.
</P>
<P>
The
<A
HREF =
"fix_modify.html"
>
fix_modify
</A>
<I>
energy
</I>
option is supported by this
fix to add the gravitational potential energy of the system to the
system's potential energy as part of
<A
HREF =
"thermo_style.html"
>
thermodynamic
output
</A>
.
</P>
<P>
This fix computes a global scalar which can be accessed by various
<A
HREF =
"Section_howto.html#howto_15"
>
output commands
</A>
. This scalar is the
gravitational potential energy of the particles in the defined field,
namely mass * (g dot x) for each particles, where x and mass are the
particles position and mass, and g is the gravitational field. The
scalar value calculated by this fix is "extensive".
</P>
<P>
No parameter of this fix can be used with the
<I>
start/stop
</I>
keywords of
the
<A
HREF =
"run.html"
>
run
</A>
command. This fix is not invoked during
<A
HREF =
"minimize.html"
>
energy
minimization
</A>
.
</P>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"atom_style.html"
>
atom_style sphere
</A>
,
<A
HREF =
"fix_addforce.html"
>
fix addforce
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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