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@1276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-01-03 00:29:17 +00:00
parent c10f59aa18
commit dc622dbbb6
2 changed files with 32 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

21
doc/fix_nve_limit.html
View File

@ -54,11 +54,22 @@ very large for overlapped configurations.
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
commands</A>. No parameter of this fix can be
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
are relevant to this fix.
</P>
<P>This fix computes a scalar quantity which is the count of how many
updates of atom's velocity/position were limited by the maximum
distance criterion. This should be roughly the number of atoms so
affected, except that updates occur at both the beginning and end of a
timestep in a velocity Verlet timestepping algorithm. This is a
cummulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various <A HREF = "Section_howto.html#4_15">output commands</A>. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
minimization</A>.
</P>
<P><B>Restrictions:</B> none
</P>

21
doc/fix_nve_limit.txt
View File

@ -51,11 +51,22 @@ very large for overlapped configurations.
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various "output
commands"_Section_howto.html#4_15. No parameter of this fix can be
used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.
are relevant to this fix.
This fix computes a scalar quantity which is the count of how many
updates of atom's velocity/position were limited by the maximum
distance criterion. This should be roughly the number of atoms so
affected, except that updates occur at both the beginning and end of a
timestep in a velocity Verlet timestepping algorithm. This is a
cummulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various "output commands"_Section_howto.html#4_15. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
minimization"_minimize.html.
[Restrictions:] none