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@3220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-10-23 15:26:46 +00:00
parent 8d26e870b4
commit a10fa06b01
2 changed files with 14 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

13
doc/fix_heat.html
View File

@ -38,13 +38,14 @@ 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. Thus it is an "extensive" quantity, meaning its
group of atoms per unit time, e.g. in eV/psec for <A HREF = "units.html">metal
units</A>. 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.
Since <I>eflux</I> is independent of N or the <A HREF = "timestep.html">timestep</A>, a
larger value of N will add/subtract a larger amount of energy each
time the fix is invoked. If heat is subtracted from the system too
aggressively so that the group's kinetic energy would go 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

13
doc/fix_heat.txt
View File

@ -35,13 +35,14 @@ 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. Thus it is an "extensive" quantity, meaning its
group of atoms per unit time, e.g. in eV/psec for "metal
units"_units.html. 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.
Since {eflux} is independent of N or the "timestep"_timestep.html, a
larger value of N will add/subtract a larger amount of energy each
time the fix is invoked. If heat is subtracted from the system too
aggressively so that the group's kinetic energy would go 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