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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3433 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-11-18 16:14:23 +00:00
parent aed40ab158
commit 9e620cdfb4
2 changed files with 38 additions and 6 deletions
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22
doc/fix_wall.html
View File

@ -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/sin</I> or <I>wiggle/cos</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> or <I>units</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)
@ -36,14 +36,17 @@
v = velocity of wall in perpendicular direction (velocity units)
<I>wiggle</I> values = amplitude period
amplitude = size of oscillation (distance units)
period = time of oscillation (time units)
period = time of oscillation (time units)
<I>units</I> value = <I>lattice</I> or <I>box</I>
lattice = the wall is defined in lattice units
box = the wall is defined in simulation box units
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 2.5 vel 1.0
fix wallhi all wall/lj126 xhi 23.2 1.0 1.0 2.5 vel 1.0 units box
fix zwalls all wall/colloid zlo 0.0 1.0 1.0 0.858 zhi 40.0 1.0 1.0 0.858
</PRE>
<P><B>Description:</B>
@ -136,6 +139,19 @@ 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>The <I>units</I> keyword determines the meaning of the distance units used
to define the position of the wall and its velocity and wiggle
amplitude. A <I>box</I> value selects standard distance units as defined
by the <A HREF = "units.html">units</A> command, e.g. Angstroms for units = real or
metal. A <I>lattice</I> value means the distance units are in lattice
spacings. The <A HREF = "lattice.html">lattice</A> command must have been
previously used to define the lattice spacing. Note that with the
<I>lattice</I> option, the wall's position is specified in lattice
spacings, the wall's velocity is specified in lattice spacings per
time, and the wall's oscillation amplitude is specified in lattice
spacings. Each of these 3 quantities may be dependent on the x,y,z
dimension, since the lattice spacings can be different in x,y,z.
</P>
<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

22
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/sin} or {wiggle/cos} :l
keyword = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} or {vel} or {wiggle/sin} or {wiggle/cos} or {units} :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)
@ -27,13 +27,16 @@ keyword = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} or {vel} or {wiggle
v = velocity of wall in perpendicular direction (velocity units)
{wiggle} values = amplitude period
amplitude = size of oscillation (distance units)
period = time of oscillation (time units) :pre
period = time of oscillation (time units)
{units} value = {lattice} or {box}
lattice = the wall is defined in lattice units
box = the wall is defined in simulation box units :pre
:ule
[Examples:]
fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 2.5 vel 1.0
fix wallhi all wall/lj126 xhi 23.2 1.0 1.0 2.5 vel 1.0 units box
fix zwalls all wall/colloid zlo 0.0 1.0 1.0 0.858 zhi 40.0 1.0 1.0 0.858 :pre
[Description:]
@ -126,6 +129,19 @@ 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.
The {units} keyword determines the meaning of the distance units used
to define the position of the wall and its velocity and wiggle
amplitude. A {box} value selects standard distance units as defined
by the "units"_units.html command, e.g. Angstroms for units = real or
metal. A {lattice} value means the distance units are in lattice
spacings. The "lattice"_lattice.html command must have been
previously used to define the lattice spacing. Note that with the
{lattice} option, the wall's position is specified in lattice
spacings, the wall's velocity is specified in lattice spacings per
time, and the wall's oscillation amplitude is specified in lattice
spacings. Each of these 3 quantities may be dependent on the x,y,z
dimension, since the lattice spacings can be different in x,y,z.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart