jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2153 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-10-06 14:22:52 +00:00
parent 614c1573c5
commit c15e924cc3
2 changed files with 47 additions and 11 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

22
doc/fix_wall_lj126.html
View File

@ -13,7 +13,7 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID wall/lj126 style coord epsilon sigma cutoff
<PRE>fix ID group-ID wall/lj126 style coord epsilon sigma cutoff keyword values ...
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>wall/lj126 = style name of this fix command
@ -22,11 +22,21 @@
<LI>epsilon = Lennard-Jones epsilon for wall-particle interaction
<LI>sigma = Lennard-Jones sigma for wall-particle interaction
<LI>cutoff = distance from wall at which wall-particle interaction is cut off
</UL>
<LI>one or more keyword/value pairs may be appended
<LI>keyword = <I>vel</I>
<I>vel</I> args = v
v = velocity of wall (velocity units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12
</PRE>
<P>fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0
</P>
<P><B>Description:</B>
</P>
<P>Bound the simulation domain on one of its faces with a Lennard-Jones
@ -44,6 +54,12 @@ provided by the <A HREF = "fix_wall_lj93.html">fix wall/lj93</A> command.
<P>The wall potential is shifted so that the energy of a wall-particle
interaction is 0.0 at the cutoff distance.
</P>
<P>If the <I>vel</I> keyword is specified, the position of wall will move during the
simulation, based on its initial position (coord) and the specified
velocity (vel). Note that if you do multiple runs, the initial position
of the indenter (x,y,z) does not change, so it will continue to move
at the specified velocity.
</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
@ -80,6 +96,8 @@ being minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A>
<P><A HREF = "fix_wall_reflect.html">fix wall/reflect</A>, <A HREF = "fix_wall_lj93.html">fix
wall/lj93</A>
</P>
<P><B>Default:</B> none
<P><B>Default:</B>
</P>
<P>The option defaults are vel = 0.
</P>
</HTML>

36
doc/fix_wall_lj93.html
View File

@ -13,20 +13,30 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID wall/lj93 style coord epsilon sigma cutoff
<PRE>fix ID group-ID wall/lj93 style coord epsilon sigma cutoff keyword values ...
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>wall/lj93 = style name of this fix command
<LI>style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
<LI>coord = position of wall
<LI>epsilon = Lennard-Jones epsilon for wall-particle interaction
<LI>sigma = Lennard-Jones sigma for wall-particle interaction
<LI>cutoff = distance from wall at which wall-particle interaction is cut off
<LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
wall/lj93 = style name of this fix command
style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
coord = position of wall
epsilon = Lennard-Jones epsilon for wall-particle interaction
sigma = Lennard-Jones sigma for wall-particle interaction
cutoff = distance from wall at which wall-particle interaction is cut off
<LI>one or more keyword/value pairs may be appended
<LI>keyword = <I>vel</I>
<I>vel</I> args = v
v = velocity of wall (velocity units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
</PRE>
<P>fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0
</P>
<P><B>Description:</B>
</P>
<P>Bound the simulation domain on one of its faces with a Lennard-Jones
@ -45,6 +55,12 @@ wall/lj126</A> command.
<P>The wall potential is shifted so that the energy of a wall-particle
interaction is 0.0 at the cutoff distance.
</P>
<P>If the <I>vel</I> keyword is specified, the position of wall will move during the
simulation, based on its initial position (coord) and the specified
velocity (vel). Note that if you do multiple runs, the initial position
of the indenter (x,y,z) does not change, so it will continue to move
at the specified velocity.
</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
@ -81,6 +97,8 @@ being minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A>
<P><A HREF = "fix_wall_reflect.html">fix wall/reflect</A>, <A HREF = "fix_wall_lj126.html">fix
wall/lj126</A>
</P>
<P><B>Default:</B> none
<P><B>Default:</B>
</P>
<P>The option defaults are vel = 0.
</P>
</HTML>