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enabled vacuum for all geometries with non-pbc directions #809

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merged 1 commit into from
Jul 25, 2024
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zerothi
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@zerothi zerothi commented Jul 24, 2024

This is a long saught solution to fix vacuum lengths by enabling users to control them.

@tfrederiksen @pfebrer I hope this covers everything, without breaking stuff...
I don't know if this should be moved to the _common.py file, perhaps it should... Well...

Let me know if this is ok, as is, or something is not covered.

This is a long saught solution to fix vacuum lengths
by enabling users to control them.

Signed-off-by: Nick Papior <[email protected]>
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codecov bot commented Jul 24, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 87.10%. Comparing base (3eeb724) to head (d286871).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #809      +/-   ##
==========================================
+ Coverage   87.09%   87.10%   +0.01%     
==========================================
  Files         401      401              
  Lines       51830    51875      +45     
==========================================
+ Hits        45140    45185      +45     
  Misses       6690     6690              

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@pfebrer
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pfebrer commented Jul 24, 2024

Looks good to me!

@tfrederiksen
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Yes, looks good!

@zerothi zerothi merged commit 8bc61b5 into main Jul 25, 2024
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@zerothi zerothi deleted the geom-vacuum branch November 25, 2024 14:14
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3 participants