git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10629 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-08-21 17:44:01 +00:00
parent 5ad6f286a8
commit 184b8d1552
2 changed files with 22 additions and 16 deletions

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@ -475,14 +475,17 @@ the simulation box XYZ axes, not with respect to the prinicpal axes of
the rigid body itself. LAMMPS performs the latter calculation
internally.
</P>
<P>IMPORTANT NOTE: The last point means that you cannot restart a
simulation with rigid bodies using the
<A HREF = "read_restart.html">read_restart</A> command and use the same <I>infile</I> of
rigid body attributes as input for the 2nd simulation, if the rigid
bodies have moved or rotated. Instead, you need to produce a new
<I>infile</I> that reflects the correct attributes for each rigid body at
the time of restart. We are thinking about a good way to make this
process easier.
<P>IMPORTANT NOTE: If you use the <I>infile</I> keyword and write restart
files during a simulation, then each time a restart file is written,
the fix also write an auxiliary restart file with the name
rfile.rigid, where "rfile" is the name of the restart file,
e.g. tmp.restart.10000 and tmp.restart.10000.rigid. This auxiliary
file is in the same format described above and contains info on the
current center-of-mass and 6 moments of inertia. Thus it can be used
in a new input script that restarts the run and re-specifies a rigid
fix using an <I>infile</I> keyword and the appropriate filename. Note that
the auxiliary file will contain one line for every rigid body, even if
the original file only listed a subset of the rigid bodies.
</P>
<HR>

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@ -461,14 +461,17 @@ the simulation box XYZ axes, not with respect to the prinicpal axes of
the rigid body itself. LAMMPS performs the latter calculation
internally.
IMPORTANT NOTE: The last point means that you cannot restart a
simulation with rigid bodies using the
"read_restart"_read_restart.html command and use the same {infile} of
rigid body attributes as input for the 2nd simulation, if the rigid
bodies have moved or rotated. Instead, you need to produce a new
{infile} that reflects the correct attributes for each rigid body at
the time of restart. We are thinking about a good way to make this
process easier.
IMPORTANT NOTE: If you use the {infile} keyword and write restart
files during a simulation, then each time a restart file is written,
the fix also write an auxiliary restart file with the name
rfile.rigid, where "rfile" is the name of the restart file,
e.g. tmp.restart.10000 and tmp.restart.10000.rigid. This auxiliary
file is in the same format described above and contains info on the
current center-of-mass and 6 moments of inertia. Thus it can be used
in a new input script that restarts the run and re-specifies a rigid
fix using an {infile} keyword and the appropriate filename. Note that
the auxiliary file will contain one line for every rigid body, even if
the original file only listed a subset of the rigid bodies.
:line