diff --git a/doc/src/compute_pressure_cartesian.rst b/doc/src/compute_pressure_cartesian.rst index cb5f9e6956..3f002a28e5 100644 --- a/doc/src/compute_pressure_cartesian.rst +++ b/doc/src/compute_pressure_cartesian.rst @@ -116,6 +116,18 @@ The values calculated by this compute are "intensive". The pressure values will be in pressure :doc:`units `. The number density values are in inverse volume :doc:`units `. +NOTE 1: The local stress does not include any Lennard-Jones tail +corrections to the pressure added by the :doc:`pair_modify tail yes ` command, since those are contributions to the global system pressure. + +NOTE 2: The local stress profiles generated by these computes are +similar to those obtained by the +:doc:`method-of-planes (MOP) `. +A key difference +is that compute `stress/mop/profile ` +considers particles crossing a set of planes, while +*pressure/cartesian* computes averages for a set of small volumes. +More information on the similarities and differences can be found in +:ref:`(Ikeshoji)`. Restrictions """""""""""" @@ -134,7 +146,7 @@ package ` doc page for more info. Related commands """""""""""""""" -:doc:`compute stress/atom `, :doc:`compute pressure `, :doc:`compute stress/mop ` +:doc:`compute stress/atom `, :doc:`compute pressure `, :doc:`compute stress/mop/profile ` Default """"""" diff --git a/doc/src/compute_stress_mop.rst b/doc/src/compute_stress_mop.rst index f9a7c1daa6..573c1ba85b 100644 --- a/doc/src/compute_stress_mop.rst +++ b/doc/src/compute_stress_mop.rst @@ -70,6 +70,17 @@ NOTE 1: The configurational stress is computed considering all pairs of atoms wh NOTE 2: The local stress does not include any Lennard-Jones tail corrections to the pressure added by the :doc:`pair_modify tail yes ` command, since those are contributions to the global system pressure. +NOTE 3: The local stress profile generated by compute *stress/mop/profile* +is similar to that obtained by compute +:doc:`pressure/cartesian `. +A key difference +is that compute *stress/mop/profile* considers particles +crossing a set of planes, +while compute *pressure/cartesian* computes averages for a set of +small volumes. More information +on the similarities and differences can be found in +:ref:`(Ikeshoji)`. + Output info """"""""""" @@ -120,3 +131,7 @@ none **(Todd)** B. D. Todd, Denis J. Evans, and Peter J. Daivis: "Pressure tensor for inhomogeneous fluids", Phys. Rev. E 52, 1627 (1995). + +.. _Ikeshoji3: + +**(Ikeshoji)** Ikeshoji, Hafskjold, Furuholt, Mol Sim, 29, 101-109, (2003).