New developer page for comm functions #3146
Conversation
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@akohlmey Here is draft of the new doc page we talked about. Not sure where in the Developer section you envision it going. |
thanks. How do you want to proceed?
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1st bullet is fine |
doc/src/Developer_comm_ops.rst
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| The *Fix*, *Compute*, and *Dump* classes can invoke the same forward | ||
| and reverse communication operations using these *Comm* class methods: | ||
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| * forward_comm_fix() |
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@sjplimp Do you remember a particular reason why there is forward_comm_pair(), forward_comm_fix() and so on instead of just forward_comm()?
With the exception of forward_comm_fix_variable() those are all uniquely identifiable from the type of the first argument. So we could have them all named forward_comm() and the variable one forward_comm_variable().
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implemented in #3148. The text here is updated to reflect that PR.
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You mean just change the method names, not template them? |
yes. I don't think they can be templated. Won't save us anything. This is more a consistency thing, i.e. avoid the "hungarian notation", i.e. have the function name encodes the type of arguments. That is needed in C when you cast to
Should be OK, but for certain such a change would have to be a separate pull request with all uses updated and tested. |
@sjplimp I have added my edits and also integrated it into the manual. For now, I just left it as a separate file and made it a new toc item. Looks quite good to me. Has pretty much everything I was looking for. I only added a few more details for better clarity. Fixed some spelling and formatting things (including your request for subheadings). Please check it out. |
doc/src/Developer_comm_ops.rst
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| Please note, that with the :doc:`newton off <newton>` setting this does | ||
| not happen and the neighbor lists are constructed that these pairs are | ||
| computed on both MPI processes containing one of the atoms and only the | ||
| data pertaining to the local atom is stored. |
doc/src/Developer_comm_ops.rst
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| *forward_comm()* and *reverse_comm()* call which are used when there are | ||
| communications with buffer sizes different from the value set in the | ||
| comm_forward/comm_reverse variables. For this to work a class member | ||
| variable must be set to indicate to the pack/unpack routines which |
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One additional thing that could be mentioned near the top of this section or elsewhere is that ghost atoms and forward/reverse communication are also used to implement periodic boundary conditions. |
Summary
New doc page for Programmer Guide which describes various communication operations provided in LAMMPS. Which users writing new style classes can invoke from their new code.
Related Issue(s)
N/A
Author(s)
Steve
Licensing
By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).
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