git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3748 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-01-24 00:08:59 +00:00
parent 7557ce580b
commit 40db65cabd
2 changed files with 4 additions and 4 deletions

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@ -75,9 +75,9 @@ pairwise interactions between 1-4 atoms. The virial contribution of
these terms is included in the pair virial, not the dihedral virial.
</P>
<P>Note that as defined in the formula, per-atom stress is the negative
of the per-atom pressure tensor. It is also really a stress-volume
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
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 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

View File

@ -72,9 +72,9 @@ pairwise interactions between 1-4 atoms. The virial contribution of
these terms is included in the pair virial, not the dihedral virial.
Note that as defined in the formula, per-atom stress is the negative
of the per-atom pressure tensor. It is also really a stress-volume
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
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 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