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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2165 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-10-08 15:02:35 +00:00
parent 76b90965c3
commit 1622477745
4 changed files with 28 additions and 2 deletions
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5
doc/fix_rigid.html
View File

@ -94,7 +94,10 @@ values must be adjusted accordingly. For example, the <A HREF = "fix_msd.html">
msd</A> will not compute the expected mean-squared
displacement for such atoms, and the image flag values written to a
<A HREF = "dump.html">dump file</A> will be different than they would be if the
atoms were not in a rigid body.
atoms were not in a rigid body. It also means that if you have bonds
between a pair of rigid bodies and the bond straddles a periodic
boundary, you cannot use the <A HREF = "replicate">replicate</A> command to increase
the system size.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>

5
doc/fix_rigid.txt
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@ -87,7 +87,10 @@ values must be adjusted accordingly. For example, the "fix
msd"_fix_msd.html will not compute the expected mean-squared
displacement for such atoms, and the image flag values written to a
"dump file"_dump.html will be different than they would be if the
atoms were not in a rigid body.
atoms were not in a rigid body. It also means that if you have bonds
between a pair of rigid bodies and the bond straddles a periodic
boundary, you cannot use the "replicate"_replicate command to increase
the system size.
[Restart, fix_modify, output, run start/stop, minimize info:]

10
doc/replicate.html
View File

@ -59,6 +59,16 @@ the time the replicate command is used that require vectors of atom
information to be stored. This is because the replicate command does
not know how to replicate that information for new atoms it creates.
</P>
<P>Replicating a system that has rigid bodies (defined via the <A HREF = "fix_rigid.html">fix
rigid</A> command), either currently defined or that
created the restart file which was read in before replicating, can
cause problems if there is a bond between a pair of rigid bodies that
straddle a periodic boundary. This is because the periodic image
information for particles in the rigid bodies are set differently than
for a non-rigid system and can result in a new bond being created that
spans the periodic box. Thus you cannot use the replicate command in
this scenario.
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none

10
doc/replicate.txt
View File

@ -56,6 +56,16 @@ the time the replicate command is used that require vectors of atom
information to be stored. This is because the replicate command does
not know how to replicate that information for new atoms it creates.
Replicating a system that has rigid bodies (defined via the "fix
rigid"_fix_rigid.html command), either currently defined or that
created the restart file which was read in before replicating, can
cause problems if there is a bond between a pair of rigid bodies that
straddle a periodic boundary. This is because the periodic image
information for particles in the rigid bodies are set differently than
for a non-rigid system and can result in a new bond being created that
spans the periodic box. Thus you cannot use the replicate command in
this scenario.
[Related commands:] none
[Default:] none