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improve fix indent documentation

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Axel Kohlmeyer
2024-07-06 09:55:22 -04:00
parent fdf9ffee73
commit f34b6dacaf
1 changed files with 21 additions and 18 deletions
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doc/src/fix_indent.rst
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@ -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 constraining wall around a simulation; see the discussion of the
*side* keyword below. *side* keyword below.
The *gstyle* geometry of the indenter can either be a sphere, a The *gstyle* keyword selects the geometry of the indenter and it can
cylinder, a cone, or a plane. 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:: .. 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* > radius of the indenter. The force is repulsive and F(r) = 0 for *r* >
*R*\ . *R*\ .
A cylindrical indenter exerts the same force, except that *r* is the A cylindrical indenter (*gstyle* = *cylinder*) follows the same formula
distance from the atom to the center axis of the cylinder. The for the force as a sphere, except that *r* is defined the distance
cylinder extends infinitely along its axis. 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 .. versionadded:: 17April2024
has a finite length (between *lo* and *hi*), and that two different
radii (one at each end, *radlo* and *radhi*) can be defined. 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 Spherical, cylindrical, and conical indenters account for periodic
boundaries in two ways. First, the center point of a spherical 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 indenter can effectively move through and straddle one or more
periodic boundaries. periodic boundaries.
A planar indenter is really an axis-aligned infinite-extent wall A planar indenter (*gstyle* = *plane*) behaves like an axis-aligned
exerting the same force on atoms in the system, where *R* is the infinite-extent wall with the same force expression on atoms in the
position of the plane and *r-R* is the distance from the plane. If system as before, but where *R* is the position of the plane and *r-R*
the *side* parameter of the plane is specified as *lo* then it will is the distance of an from the plane. If the *side* parameter of the
indent from the lo end of the simulation box, meaning that atoms with plane is specified as *lo* then it will indent from the lo end of the
a coordinate less than the plane's current position will be pushed simulation box, meaning that atoms with a coordinate less than the
towards the hi end of the box and atoms with a coordinate higher than plane's current position will be pushed towards the hi end of the box
the plane's current position will feel no force. Vice versa if *side* and atoms with a coordinate higher than the plane's current position
is specified as *hi*\ . will feel no force. Vice versa if *side* is specified as *hi*\ .
Any of the 4 quantities defining a spherical indenter's geometry can Any of the 4 quantities defining a spherical indenter's geometry can
be specified as an equal-style :doc:`variable <variable>`, namely *x*, be specified as an equal-style :doc:`variable <variable>`, namely *x*,