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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3745 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2010-01-23 23:33:43 +00:00
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2 changed files with 14 additions and 14 deletions
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14
doc/compute_stress_atom.html
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@ -79,11 +79,11 @@ of the per-atom pressure tensor. It is also really a stress-volume
formulation, meaning the computed quantity is in units of
pressure-volume. It would need to be divided by a per-atom volume to
have units of stress (pressure), but an individual atom's volume is
not easy to compute in a deformed solid or a liquid. Thus, if the
diagonal components of the per-atom stress tensor are summed for all
atoms in the system and the sum is divided by dV, where d = dimension
and V is the volume of the system, the result should be -P, where P is
the total pressure of the system.
not well defined or easy to compute in a deformed solid or a liquid.
Thus, if the diagonal components of the per-atom stress tensor are
summed for all atoms in the system and the sum is divided by dV, where
d = dimension and V is the volume of the system, the result should be
-P, where P is the total pressure of the system.
</P>
<P>These lines in an input script for a 3d system should yield that
result. I.e. the last 2 columns of thermo output will be the same:
@ -105,8 +105,8 @@ accessed by indices 1-6 by any command that uses per-atom values from
a compute as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an
overview of LAMMPS output options.
</P>
<P>The per-atom array values will be in whatever <A HREF = "units.html">units</A> the
quantities being reduced are in.
<P>The per-atom array values will be in pressure*volume
<A HREF = "units.html">units</A> as discussed above.
</P>
<P><B>Restrictions:</B> none
</P>

14
doc/compute_stress_atom.txt
View File

@ -76,11 +76,11 @@ of the per-atom pressure tensor. It is also really a stress-volume
formulation, meaning the computed quantity is in units of
pressure-volume. It would need to be divided by a per-atom volume to
have units of stress (pressure), but an individual atom's volume is
not easy to compute in a deformed solid or a liquid. Thus, if the
diagonal components of the per-atom stress tensor are summed for all
atoms in the system and the sum is divided by dV, where d = dimension
and V is the volume of the system, the result should be -P, where P is
the total pressure of the system.
not well defined or easy to compute in a deformed solid or a liquid.
Thus, if the diagonal components of the per-atom stress tensor are
summed for all atoms in the system and the sum is divided by dV, where
d = dimension and V is the volume of the system, the result should be
-P, where P is the total pressure of the system.
These lines in an input script for a 3d system should yield that
result. I.e. the last 2 columns of thermo output will be the same:
@ -102,8 +102,8 @@ accessed by indices 1-6 by any command that uses per-atom values from
a compute as input. See "this section"_Section_howto.html#4_15 for an
overview of LAMMPS output options.
The per-atom array values will be in whatever "units"_units.html the
quantities being reduced are in.
The per-atom array values will be in pressure*volume
"units"_units.html as discussed above.
[Restrictions:] none