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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4224 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-06-02 20:38:41 +00:00
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doc/thermo_modify.html
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@ -50,10 +50,17 @@ thermo_modify command after it.
</P>
<P>The <I>lost</I> keyword determines whether LAMMPS checks for lost atoms
each time it computes thermodynamics and what it does if atoms are
lost. If the value is <I>ignore</I>, LAMMPS does not check for lost atoms.
If the value is <I>error</I> or <I>warn</I>, LAMMPS checks and either issues an
error or warning. The code will exit with an error and continue with
a warning. This can be a useful debugging option.
lost. An atom can be "lost" if it moves across a non-periodic
simulation box <A HREF = "boundary.html">boundary</A> or if it moves more than a box
length outside the simulation domain (or more than a processor
sub-domain length) before reneighboring occurs. The latter case is
typically due to bad dynamics, e.g. too large a timestep or huge
forces and velocities. If the value is <I>ignore</I>, LAMMPS does not
check for lost atoms. If the value is <I>error</I> or <I>warn</I>, LAMMPS
checks and either issues an error or warning. The code will exit with
an error and continue with a warning. A warning will only be issued
once, the first time an atom is lost. This can be a useful debugging
option.
</P>
<P>The <I>norm</I> keyword determines whether various thermodynamic output
values are normalized by the number of atoms or not, depending on