Commit d96de318 authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1642 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 539fb97f
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@@ -163,10 +163,10 @@ change the attributes of this potential energy via the
of the system with 1/2 Kb T of energy for each degree of freedom.
Thus, using different <A HREF = "compute.html">compute commands</A> for calculating
temperature, via the <A HREF = "thermo_modify.html">thermo_modify temp</A> command,
may yield different kinetic energies, since different temperature
compute can subtract out different non-thermal components of velocity
and/or include different degrees of freedom (translational,
rotational, etc).
may yield different kinetic energies, since different computes that
calculate temperature can subtract out different non-thermal
components of velocity and/or include different degrees of freedom
(translational, rotational, etc).
</P>
<P>The potential energy of the system <I>pe</I> will include contributions
from fixes if the <A HREF = "fix_modify.html">fix_modify thermo</A> option is set
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@@ -157,10 +157,10 @@ The kinetic energy of the system {ke} is inferred from the temperature
of the system with 1/2 Kb T of energy for each degree of freedom.
Thus, using different "compute commands"_compute.html for calculating
temperature, via the "thermo_modify temp"_thermo_modify.html command,
may yield different kinetic energies, since different temperature
compute can subtract out different non-thermal components of velocity
and/or include different degrees of freedom (translational,
rotational, etc).
may yield different kinetic energies, since different computes that
calculate temperature can subtract out different non-thermal
components of velocity and/or include different degrees of freedom
(translational, rotational, etc).

The potential energy of the system {pe} will include contributions
from fixes if the "fix_modify thermo"_fix_modify.html option is set