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Bug #1695

Andersen thermostats wrong in 5.0

Added by Mark Abraham about 2 years ago. Updated about 2 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
All 5.0, not earlier versions
Affected version:
Difficulty:
uncategorized
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Description

As found by Momchil Ivanov and reported on gmx-developers, the implementations for the two flavours of Andersen thermostats were the wrong way around.

Associated revisions

Revision 9c59bc70 (diff)
Added by Mark Abraham about 2 years ago

Fix Andersen thermostats

The logic for which type of Andersen thermostat has which
implementation got inverted while implementing support for Random123.

Fixes #1695

Change-Id: Ibb7663160bab0ffbb41e23e0d1e97a151940f47b

Revision be65406c (diff)
Added by Mark Abraham about 2 years ago

Add comment about Andersen themostat and constraints

Per Michael's request at https://gerrit.gromacs.org/#/c/4479/

Refs #1695

Change-Id: Ibdd0de0e05b6d6be3fba8ba1d29f904b75c4d3c4

History

#2 Updated by Gerrit Code Review Bot about 2 years ago

Gerrit received a related patchset '1' for Issue #1695.
Uploader: Mark Abraham ()
Change-Id: Ibb7663160bab0ffbb41e23e0d1e97a151940f47b
Gerrit URL: https://gerrit.gromacs.org/4479

#3 Updated by Gerrit Code Review Bot about 2 years ago

Gerrit received a related patchset '1' for Issue #1695.
Uploader: Mark Abraham ()
Change-Id: Ibdd0de0e05b6d6be3fba8ba1d29f904b75c4d3c4
Gerrit URL: https://gerrit.gromacs.org/4515

#4 Updated by Mark Abraham about 2 years ago

  • Status changed from New to Closed

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