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Fix LB GPU grid resize code #4191

Merged
merged 7 commits into from
Mar 30, 2021
Merged

Fix LB GPU grid resize code #4191

merged 7 commits into from
Mar 30, 2021

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jngrad
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@jngrad jngrad commented Mar 29, 2021

Fixes #4190

Description of changes:

  • resize LB GPU grid when resizing the system box
  • use relative tolerance when checking the LB GPU grid size
  • remove code duplication in the LB GPU grid size code

jngrad added 4 commits March 29, 2021 19:03
@jngrad
core: Use relative tolerance
38952c9 
The floating-point precision depends on the size of the box.
@jngrad
core: Remove code duplication
0604c35
@jngrad
core: Fix LB GPU grid size bug
8216180 
Always regenerate the LB grid dimensions on parameter change.
@jngrad
tests: Check LB grid resize
37197b3
@jngrad jngrad added this to the Espresso 4.2 milestone Mar 29, 2021
@jngrad jngrad requested a review from KaiSzuttor March 30, 2021 13:55
@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label Mar 30, 2021
@kodiakhq kodiakhq bot merged commit 90540b1 into espressomd:python Mar 30, 2021
@jngrad jngrad deleted the lb-resize branch March 30, 2021 14:32
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@KaiSzuttor KaiSzuttor KaiSzuttor approved these changes

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automerge Merge with kodiak BugFix Core
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LB GPU grid resize bug
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@jngrad @KaiSzuttor