diff --git a/doc/compute_stress_atom.html b/doc/compute_stress_atom.html index ea1c86277f..995f003f31 100644 --- a/doc/compute_stress_atom.html +++ b/doc/compute_stress_atom.html @@ -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.

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 this section for an overview of LAMMPS output options.

-

The per-atom array values will be in whatever units the -quantities being reduced are in. +

The per-atom array values will be in pressure*volume +units as discussed above.

Restrictions: none

diff --git a/doc/compute_stress_atom.txt b/doc/compute_stress_atom.txt index 5e137dc754..22e078de18 100644 --- a/doc/compute_stress_atom.txt +++ b/doc/compute_stress_atom.txt @@ -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