From f34b6dacaf900ba81e9e28335f341cce08b5bccf Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 6 Jul 2024 09:55:22 -0400 Subject: [PATCH] improve fix indent documentation --- doc/src/fix_indent.rst | 39 +++++++++++++++++++++------------------ 1 file changed, 21 insertions(+), 18 deletions(-) diff --git a/doc/src/fix_indent.rst b/doc/src/fix_indent.rst index e041f9f29b..3e269654ac 100644 --- a/doc/src/fix_indent.rst +++ b/doc/src/fix_indent.rst @@ -68,10 +68,10 @@ material or as an obstacle in a flow. Alternatively, it can be used as a constraining wall around a simulation; see the discussion of the *side* keyword below. -The *gstyle* geometry of the indenter can either be a sphere, a -cylinder, a cone, or a plane. +The *gstyle* keyword selects the geometry of the indenter and it can +either have the value of *sphere*, *cylinder*, *cone*, or *plane*\ . -A spherical indenter exerts a force of magnitude +A spherical indenter (*gstyle* = *sphere*) exerts a force of magnitude .. math:: @@ -82,13 +82,16 @@ distance from the atom to the center of the indenter, and *R* is the radius of the indenter. The force is repulsive and F(r) = 0 for *r* > *R*\ . -A cylindrical indenter exerts the same force, except that *r* is the -distance from the atom to the center axis of the cylinder. The -cylinder extends infinitely along its axis. +A cylindrical indenter (*gstyle* = *cylinder*) follows the same formula +for the force as a sphere, except that *r* is defined the distance +from the atom to the center axis of the cylinder. The cylinder extends +infinitely along its axis. -A conical indenter is similar to a cylindrical indenter except that it -has a finite length (between *lo* and *hi*), and that two different -radii (one at each end, *radlo* and *radhi*) can be defined. +.. versionadded:: 17April2024 + +A conical indenter (*gstyle* = *cone*) is similar to a cylindrical indenter +except that it has a finite length (between *lo* and *hi*), and that two +different radii (one at each end, *radlo* and *radhi*) can be defined. Spherical, cylindrical, and conical indenters account for periodic boundaries in two ways. First, the center point of a spherical @@ -101,15 +104,15 @@ or axis accounts for periodic boundaries. Both of these mean that an indenter can effectively move through and straddle one or more periodic boundaries. -A planar indenter is really an axis-aligned infinite-extent wall -exerting the same force on atoms in the system, where *R* is the -position of the plane and *r-R* is the distance from the plane. If -the *side* parameter of the plane is specified as *lo* then it will -indent from the lo end of the simulation box, meaning that atoms with -a coordinate less than the plane's current position will be pushed -towards the hi end of the box and atoms with a coordinate higher than -the plane's current position will feel no force. Vice versa if *side* -is specified as *hi*\ . +A planar indenter (*gstyle* = *plane*) behaves like an axis-aligned +infinite-extent wall with the same force expression on atoms in the +system as before, but where *R* is the position of the plane and *r-R* +is the distance of an from the plane. If the *side* parameter of the +plane is specified as *lo* then it will indent from the lo end of the +simulation box, meaning that atoms with a coordinate less than the +plane's current position will be pushed towards the hi end of the box +and atoms with a coordinate higher than the plane's current position +will feel no force. Vice versa if *side* is specified as *hi*\ . Any of the 4 quantities defining a spherical indenter's geometry can be specified as an equal-style :doc:`variable `, namely *x*,