tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

implement suggestions from @athomps

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-03-18 18:28:20 -04:00
parent 68673633f0
commit 3828518e5e
1 changed files with 11 additions and 9 deletions
Download Patch File Download Diff File Expand all files Collapse all files

20
doc/src/Developer_notes.rst
View File

@ -83,10 +83,10 @@ are three main algorithms that can be selected by the :doc:`neighbor
command <neighbor>`: `bin` (the default, uses binning to achieve linear
scaling with system size), `nsq` (without binning, quadratic scaling),
`multi` (with binning, optimized for varying cutoffs or polydisperse
granular particles). In addition how the neighbor lists are constructed
a number of different variants of neighbor lists need to be created
(e.g. "full" or "half") for different purposes and styles and those may
be be required in every time step ("perpetual") or on some steps
granular particles). In addition to how the neighbor lists are
constructed a number of different variants of neighbor lists need to be
created (e.g. "full" or "half") for different purposes and styles and
those may be required in every time step ("perpetual") or on some steps
("occasional").
The neighbor list creation is managed by the ``Neighbor`` class.
@ -120,12 +120,14 @@ Thus these are the default settings when a neighbor list request is created in:
The ``this`` pointer argument is required so the neighbor list code can
access the requesting class instance to store the assembled neighbor
list with that instance by calling its ``init_list()`` member function.
The second argument contains a bitmask of flags that determines the kind
of neighbor list, i.e. a perpetual "half" neighbor list here.
The optional second argument (omitted here) contains a bitmask of flags
that determines the kind of neighbor list requested. The default value
used here asks for a perpetual "half" neighbor list.
To adjust a neighbor list request to the specific needs of a style
an additional request flag is needed. The :doc:`tersoff <pair_tersoff>` pair
style, for example, needs a "full" neighbor list:
Non-default values of the second argument need to be used to adjust a
neighbor list request to the specific needs of a style an additional
request flag is needed. The :doc:`tersoff <pair_tersoff>` pair style,
for example, needs a "full" neighbor list:
.. code-block:: C++