ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update according to PR #3148

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-02-21 21:57:12 -05:00
parent ba2a2ddd9f
commit 36ecfded81
1 changed files with 10 additions and 19 deletions
Download Patch File Download Diff File Expand all files Collapse all files

29
doc/src/Developer_comm_ops.rst
View File

@ -45,10 +45,12 @@ timestep via the *forward_comm()* and *reverse_comm()* methods in the
currently used :doc:`atom style <atom_style>` and whether
:doc:`comm_modify vel <comm_modify>` setting is "no" (default) or "yes".
Similarly, *Pair* style classes can invoke the *forward_comm_pair()*
and *reverse_comm_pair()* methods in the *Comm* class to perform the
Similarly, *Pair* style classes can invoke the *forward_comm(this)*
and *reverse_comm(this)* methods in the *Comm* class to perform the
same operations on per-atom data that is stored within the pair style
class. An example for the use of these functions are many-body pair
class. Note that this function requires passing the ``this`` pointer
as the first argument to be able to call the "pack" and "unpack" functions
discussed below. An example for the use of these functions are many-body pair
styles like the embedded-atom method (EAM) which compute intermediate
values in the first part of the compute() function that need to be
stored on both, owned and ghost atoms for the second part of the force
@ -75,26 +77,15 @@ tagint, imageint) in the buffer, you need to use the `ubuf union
<Communication buffer coding with ubuf>`_.
The *Fix*, *Compute*, and *Dump* classes can invoke the same kind of
forward and reverse communication operations using these *Comm* class
methods:
* forward_comm_fix()
* reverse_comm_fix()
* forward_comm_compute()
* reverse_comm_compute()
* forward_comm_dump()
* reverse_comm_dump()
forward and reverse communication operations using *Comm* class methods.
The same pack/unpack methods and comm_forward/comm_reverse variables
must be defined by the *Fix* or *Compute* class.
For *Fix* classes there are two additional methods,
*forward_comm_fix_variable()* and *reverse_comm_fix_variable()* which
can be invoked. They allow the data communication for each atom to be
of variable size. They invoke these corresponding callback methods
For *Fix* classes there is the option to have a argument to the
*reverse_comm(this,size)* which allows the communication to have
a different amount of data per-atom. The "size" argument is then
the maximal size. It invokes these corresponding callback methods:
* pack_forward_comm_size()
* unpack_forward_comm_size()
* pack_reverse_comm_size()
* unpack_reverse_comm_size()