Project

General

Profile

Bug #3383

Skewed box correction not happening in non-DD modular simulator

Added by Pascal Merz 6 months ago. Updated 6 months ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Correction of skewed box (correct_box(...)) in modular simulator is currently only performed when using domain decomposition, since the domain decomposition helper object took responsibility for it, but is only created when domain decomposition is used. This correction should, however, also be performed in non-DD cases.

Associated revisions

Revision 58d3a884 (diff)
Added by Pascal Merz 6 months ago

Correct for skewed box in non-DD modular simulator

In modular simulator, the correction for skewed boxes was only performed
when DD was active. This change makes sure it happens in all cases.
Also left a TODO to think about unifying the approach for the two cases
moving forward.

Fixes #3383
Refs #3392

Change-Id: I897dbc9e490bb1a1e465e711c66b47a29e214fd1

History

#1 Updated by Pascal Merz 6 months ago

  • Status changed from New to Fix uploaded
  • Private changed from Yes to No

#2 Updated by Anonymous 6 months ago

  • Status changed from Fix uploaded to Resolved

#3 Updated by Paul Bauer 6 months ago

  • Status changed from Resolved to Closed

Also available in: Atom PDF