ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

4
doc/compute_stress_atom.html
View File

@ -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. these terms is included in the pair virial, not the dihedral virial.
</P> </P>
<P>Note that as defined in the formula, per-atom stress is the negative <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 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 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. 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 Thus, if the diagonal components of the per-atom stress tensor are

4
doc/compute_stress_atom.txt
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. 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 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 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 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. 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 Thus, if the diagonal components of the per-atom stress tensor are