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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3430 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-11-18 15:22:46 +00:00
parent 1894ba057c
commit 787ae9235a
4 changed files with 54 additions and 30 deletions
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2
doc/fix_ave_atom.html
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@ -121,6 +121,8 @@ been previously defined in the input script. Variables of style
fixes, or variables when they are evaluated, so this is a very general
means of generating per-atom quantities to time average.
</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

2
doc/fix_ave_atom.txt
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@ -110,6 +110,8 @@ been previously defined in the input script. Variables of style
fixes, or variables when they are evaluated, so this is a very general
means of generating per-atom quantities to time average.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

40
doc/fix_wall.html
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@ -25,7 +25,7 @@
<LI>one or more keyword/value pairs may be appended
<LI>keyword = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I> or <I>vel</I> or <I>wiggle</I>
<LI>keyword = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I> or <I>vel</I> or <I>wiggle/sin</I> or <I>wiggle/cos</I>
<PRE> <I>xlo</I>, <I>xhi</I>, <I>ylo</I>, <I>yhi</I>, <I>zlo</I>, <I>zhi</I> values = coord epsilon sigma cutoff
coord = position of wall (distance units)
@ -108,23 +108,33 @@ each wall moves outward, away from the center of the box. If you want
different walls to move with different velocities, then you need to
use multiple fix wall commands.
</P>
<P>If the <I>wiggle</I> keyword is specified, the position of all walls will
oscillate sinusoidally during the simulation in the perpendicular
<P>If the <I>wiggle/sin</I> keyword is specified, the position of all walls
will oscillate sinusoidally during the simulation in the perpendicular
direction, according to the equation:
</P>
<PRE>position = pos0 + A sin (omega * delta)
<PRE>position = pos0 + A sin(omega*delta)
</PRE>
<P>where <I>pos0</I> is the position at the beginning of the simulation, <I>A</I>
is the <I>amplitude</I>, <I>omega</I> is 2 PI / <I>period</I>, and <I>delta</I> is the
time elapsed since the beginning of the simulation. See the note
below about making a wall oscillate continuously across multiple runs.
A positive amplitude means each wall initially moves inward, towards
the center of the box. I.e. an <I>xlo</I> wall will move initially in the
+x direction and an <I>xhi</I> wall will move initially in the -x
direction. A negative velocity means each wall moves initially
outward, away from the center of the box. If you want different walls
to oscillate with different amplitudes or periods, then you need to
use multiple fix wall commands.
<P>If the <I>wiggle/cos</I> keyword is specified, the position of all walls
will oscillate sinusoidally during the simulation in the perpendicular
direction, according to the equation:
</P>
<PRE>position = pos0 + A (1 - cos(omega*delta))
</PRE>
<P>In both cases, <I>pos0</I> is the position at the beginning of the
simulation, <I>A</I> is the <I>amplitude</I>, <I>omega</I> is 2 PI / <I>period</I>, and
<I>delta</I> is the time elapsed since the beginning of the simulation.
See the note below about making a wall oscillate continuously across
multiple runs. A positive amplitude means each wall initially moves
inward, towards the center of the box. I.e. an <I>xlo</I> wall will move
initially in the +x direction and an <I>xhi</I> wall will move initially in
the -x direction. A negative velocity means each wall moves initially
outward, away from the center of the box. Note that the <I>wiggle/sin</I>
option oscillates with amplitude <I>A</I> around the pos0 position and the
velocity of the wall is a maximum at time 0. By contrast, for the
<I>wiggle/cos</I> option the wall moves up to <I>2A</I> away from pos0 in one
direction and the velocity of the wall is 0 at time 0. If you want
different walls to oscillate with different amplitudes or periods,
then you need to use multiple fix wall commands.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>

40
doc/fix_wall.txt
View File

@ -17,7 +17,7 @@ fix ID group-ID style keyword values ... :pre
ID, group-ID are documented in "fix"_fix.html command :ulb,l
style = {wall/lj93} or {wall/lj126} or {wall/colloid} :l
one or more keyword/value pairs may be appended :l
keyword = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} or {vel} or {wiggle} :l
keyword = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} or {vel} or {wiggle/sin} or {wiggle/cos} :l
{xlo}, {xhi}, {ylo}, {yhi}, {zlo}, {zhi} values = coord epsilon sigma cutoff
coord = position of wall (distance units)
epsilon = strength factor for wall-particle interaction (energy units)
@ -98,23 +98,33 @@ each wall moves outward, away from the center of the box. If you want
different walls to move with different velocities, then you need to
use multiple fix wall commands.
If the {wiggle} keyword is specified, the position of all walls will
oscillate sinusoidally during the simulation in the perpendicular
If the {wiggle/sin} keyword is specified, the position of all walls
will oscillate sinusoidally during the simulation in the perpendicular
direction, according to the equation:
position = pos0 + A sin (omega * delta) :pre
position = pos0 + A sin(omega*delta) :pre
where {pos0} is the position at the beginning of the simulation, {A}
is the {amplitude}, {omega} is 2 PI / {period}, and {delta} is the
time elapsed since the beginning of the simulation. See the note
below about making a wall oscillate continuously across multiple runs.
A positive amplitude means each wall initially moves inward, towards
the center of the box. I.e. an {xlo} wall will move initially in the
+x direction and an {xhi} wall will move initially in the -x
direction. A negative velocity means each wall moves initially
outward, away from the center of the box. If you want different walls
to oscillate with different amplitudes or periods, then you need to
use multiple fix wall commands.
If the {wiggle/cos} keyword is specified, the position of all walls
will oscillate sinusoidally during the simulation in the perpendicular
direction, according to the equation:
position = pos0 + A (1 - cos(omega*delta)) :pre
In both cases, {pos0} is the position at the beginning of the
simulation, {A} is the {amplitude}, {omega} is 2 PI / {period}, and
{delta} is the time elapsed since the beginning of the simulation.
See the note below about making a wall oscillate continuously across
multiple runs. A positive amplitude means each wall initially moves
inward, towards the center of the box. I.e. an {xlo} wall will move
initially in the +x direction and an {xhi} wall will move initially in
the -x direction. A negative velocity means each wall moves initially
outward, away from the center of the box. Note that the {wiggle/sin}
option oscillates with amplitude {A} around the pos0 position and the
velocity of the wall is a maximum at time 0. By contrast, for the
{wiggle/cos} option the wall moves up to {2A} away from pos0 in one
direction and the velocity of the wall is 0 at time 0. If you want
different walls to oscillate with different amplitudes or periods,
then you need to use multiple fix wall commands.
[Restart, fix_modify, output, run start/stop, minimize info:]