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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2009-07-24 15:11:43 +00:00
parent e69849160d
commit 91af07f571
2 changed files with 16 additions and 12 deletions
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14
doc/fix_heat.html
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@ -38,11 +38,13 @@ they may move to.
</P>
<P>Heat addition/subtraction is performed every N timesteps. The <I>eflux</I>
parameter determines the change in aggregate energy of the entire
group of atoms. Since eflux is in units of energy/time, this means a
larger value of N will add/subtract a larger amount of energy each
timestep the fix is invoked. If heat is subtracted from the system
too aggressively so that the group's kinetic energy goes to zero,
LAMMPS halts with an error message.
group of atoms. Thus it is an "extensive" quantity, meaning its
magnitude should be scaled with the number of atoms in the group.
Since eflux is in units of energy/time, this means a larger value of N
will add/subtract a larger amount of energy each timestep the fix is
invoked. If heat is subtracted from the system too aggressively so
that the group's kinetic energy goes to zero, LAMMPS halts with an
error message.
</P>
<P>Fix heat is different from a thermostat such as <A HREF = "fix_nvt.html">fix nvt</A>
or <A HREF = "fix_temp_rescale.html">fix temp/rescale</A> in that energy is
@ -68,7 +70,7 @@ are relevant to this fix.
<P>This fix computes a scalar which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
this fix is "intensive", meaning it does not scale with the number of
this fix is "intensive", meaning it is independent of 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

14
doc/fix_heat.txt
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@ -35,11 +35,13 @@ they may move to.
Heat addition/subtraction is performed every N timesteps. The {eflux}
parameter determines the change in aggregate energy of the entire
group of atoms. Since eflux is in units of energy/time, this means a
larger value of N will add/subtract a larger amount of energy each
timestep the fix is invoked. If heat is subtracted from the system
too aggressively so that the group's kinetic energy goes to zero,
LAMMPS halts with an error message.
group of atoms. Thus it is an "extensive" quantity, meaning its
magnitude should be scaled with the number of atoms in the group.
Since eflux is in units of energy/time, this means a larger value of N
will add/subtract a larger amount of energy each timestep the fix is
invoked. If heat is subtracted from the system too aggressively so
that the group's kinetic energy goes to zero, LAMMPS halts with an
error message.
Fix heat is different from a thermostat such as "fix nvt"_fix_nvt.html
or "fix temp/rescale"_fix_temp_rescale.html in that energy is
@ -65,7 +67,7 @@ are relevant to this fix.
This fix computes a scalar which can be accessed by various "output
commands"_Section_howto.html#4_15. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
this fix is "intensive", meaning it does not scale with the number of
this fix is "intensive", meaning it is independent of the number of
atoms in the simulation.
No parameter of this fix can be used with the {start/stop} keywords of