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Multiple issues with swimmer reaction, decide faith #2498

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fweik opened this issue Feb 5, 2019 · 2 comments · Fixed by #2886
Closed

Multiple issues with swimmer reaction, decide faith #2498

fweik opened this issue Feb 5, 2019 · 2 comments · Fixed by #2886
Milestone
Espresso 4.1

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@fweik
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fweik commented Feb 5, 2019 •
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Currently swimmer reactions does not properly handle ghosts and pair discovery: It does it's own n2 pair finding but does not take into account the facts that pairs can be found multiple times, that some of the reacting particles could be ghosts and does not synchronize reactions between nodes. Also the implementation is rather confusing and the details are not documented. In the current state we can not keep it.
@fweik
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fweik commented Feb 5, 2019

It also shadows the old catalytic reaction method, which is a different method.

@RudolfWeeber
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The test case fails without ROTATION. It is also not clear to me, what it does without ROTATION.
@jdgraaf @hmenke, is the SWIMMER_REACTIONS feature actually being used?
Based on the issues mentioned in this ticket. I think that, either someone has to commit to clean it up or we will have to remove it.

@RudolfWeeber RudolfWeeber mentioned this issue Apr 8, 2019
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@RudolfWeeber RudolfWeeber added this to the Espresso 4.1 milestone Apr 9, 2019
@fweik fweik mentioned this issue Jun 6, 2019
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bors bot added a commit that referenced this issue Jun 17, 2019
@bors @fweik @KaiSzuttor
Merge #2886
911d4c9 
2886: Swimmer reactions r=KaiSzuttor a=fweik

Fixes #2498.

This was broken in multiple ways (see #2498) and seems abandoned.
Also It uses an interface (access to verlet lists and cells) that we do not
plan to provide in the future.

Description of changes:
 - Remove SWIMMER_REACTSION feature and functionality


Co-authored-by: Florian Weik <[email protected]>
Co-authored-by: Kai Szuttor <[email protected]>
@bors bors bot closed this as completed in #2886 Jun 17, 2019
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Swimmer reactions
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@RudolfWeeber @fweik