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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3020 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-08 18:43:01 +00:00
parent 32b279c6be
commit 39c25bd61a
2 changed files with 20 additions and 16 deletions
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18
doc/fix_indent.html
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@ -72,11 +72,16 @@ must set one of those 3 keywords.
<P>on each atom where <I>k</I> is the specified force constant, <I>r</I> is the
distance from the atom to the center of the indenter, and <I>R</I> is the
radius of the indenter. The force is repulsive and F(r) = 0 for <I>r</I> >
<I>R</I>.
<I>R</I>. The calculation of distance to the indenter center accounts
for periodic boundaries, which means the indenter can effectively
straddle one or more periodic boundaries.
</P>
<P>A cylindrical indenter exerts the same force, except that <I>r</I> is the
distance from the atom to the center axis of the cylinder. The
cylinder extends infinitely along its axis.
cylinder extends infinitely along its axis. The calculation of
distance to the indenter axis accounts for periodic boundaries, which
means the indenter can effectively straddle one or more periodic
boundaries.
</P>
<P>A planar indenter is really an axis-aligned infinite-extent wall
exerting the same force on atoms in the system, where <I>R</I> is the
@ -93,7 +98,9 @@ the spherical (or cylindrical or planar) indenter will move during the
simulation, based on its initial position (x,y,z) and the specified
(vx,vy,vz). 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.
at the specified velocity. For periodic systems and spherical or
cylindrical indenters, the new position of the center or axis is
wrapped back into the periodic box as needed.
</P>
<P>If the <I>rstart</I> keyword is specified, then the radius of the indenter
is a time-dependent quantity. This only applies to spherical or
@ -121,11 +128,6 @@ choice affects not only the indenter's physical geometry, but also its
velocity and force constant since they are defined in terms of
distance as well.
</P>
<P>IMPORTANT NOTE: For spherical and cylindrical indenters, you should
insure the indenter's extent does not overlap a periodic boundary,
either for a fixed indenter, or one that moves. No check for such
overlaps is performed by the code.
</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

18
doc/fix_indent.txt
View File

@ -63,11 +63,16 @@ F(r) = - k (r - R)^2 :pre
on each atom where {k} is the specified force constant, {r} is the
distance from the atom to the center of the indenter, and {R} is the
radius of the indenter. The force is repulsive and F(r) = 0 for {r} >
{R}.
{R}. The calculation of distance to the indenter center accounts
for periodic boundaries, which means the indenter can effectively
straddle one or more periodic boundaries.
A cylindrical indenter exerts the same force, except that {r} is the
distance from the atom to the center axis of the cylinder. The
cylinder extends infinitely along its axis.
cylinder extends infinitely along its axis. The calculation of
distance to the indenter axis accounts for periodic boundaries, which
means the indenter can effectively straddle one or more periodic
boundaries.
A planar indenter is really an axis-aligned infinite-extent wall
exerting the same force on atoms in the system, where {R} is the
@ -84,7 +89,9 @@ the spherical (or cylindrical or planar) indenter will move during the
simulation, based on its initial position (x,y,z) and the specified
(vx,vy,vz). 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.
at the specified velocity. For periodic systems and spherical or
cylindrical indenters, the new position of the center or axis is
wrapped back into the periodic box as needed.
If the {rstart} keyword is specified, then the radius of the indenter
is a time-dependent quantity. This only applies to spherical or
@ -112,11 +119,6 @@ choice affects not only the indenter's physical geometry, but also its
velocity and force constant since they are defined in terms of
distance as well.
IMPORTANT NOTE: For spherical and cylindrical indenters, you should
insure the indenter's extent does not overlap a periodic boundary,
either for a fixed indenter, or one that moves. No check for such
overlaps is performed by the code.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart