Loading doc/fix_nve_limit.html +16 −5 Original line number Diff line number Diff line Loading @@ -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> Loading doc/fix_nve_limit.txt +16 −5 Original line number Diff line number Diff line Loading @@ -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 Loading Loading
doc/fix_nve_limit.html +16 −5 Original line number Diff line number Diff line Loading @@ -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> Loading
doc/fix_nve_limit.txt +16 −5 Original line number Diff line number Diff line Loading @@ -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 Loading
