From 788b657922e1fc853c50d01ba24fcd1ec9d76c57 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 13 Mar 2013 18:48:49 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9663 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/compute_temp_asphere.html | 5 +++++ doc/compute_temp_asphere.txt | 5 +++++ 2 files changed, 10 insertions(+) diff --git a/doc/compute_temp_asphere.html b/doc/compute_temp_asphere.html index 59b32f6951..7c70a62924 100644 --- a/doc/compute_temp_asphere.html +++ b/doc/compute_temp_asphere.html @@ -66,6 +66,11 @@ should have 3 dof instead of 6 in 3d (or 2 instead of 3 in 2d). A uniaxial aspherical particle has two of its three shape parameters the same. If it does not rotate around the axis perpendicular to its circular cross section, then it should have 5 dof instead of 6 in 3d. +The latter is the case for uniaxial ellipsoids in a GayBerne +model since there is no induced torque around the +optical axis. It will also be the case for biaxial ellipsoids when +exactly two of the semiaxes have the same length and the corresponding +relative well depths are equal.

The translational kinetic energy is computed the same as is described by the compute temp command. The rotational diff --git a/doc/compute_temp_asphere.txt b/doc/compute_temp_asphere.txt index 019c1f72c7..ff4a90c610 100755 --- a/doc/compute_temp_asphere.txt +++ b/doc/compute_temp_asphere.txt @@ -58,6 +58,11 @@ should have 3 dof instead of 6 in 3d (or 2 instead of 3 in 2d). A uniaxial aspherical particle has two of its three shape parameters the same. If it does not rotate around the axis perpendicular to its circular cross section, then it should have 5 dof instead of 6 in 3d. +The latter is the case for uniaxial ellipsoids in a "GayBerne +model"_pair_gayberne.html since there is no induced torque around the +optical axis. It will also be the case for biaxial ellipsoids when +exactly two of the semiaxes have the same length and the corresponding +relative well depths are equal. The translational kinetic energy is computed the same as is described by the "compute temp"_compute_temp.html command. The rotational