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Bug #1516

g_energy Einstein viscosity output incorrect

Added by Berk Hess about 3 years ago. Updated about 3 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

The Einstein viscosity output generated by g_energy -vis has been incorrect since the change of the storage of the energy sums in the energy file introduced in version 4.5. The output is obviously incorrect, since the viscosity decreases rapidly with time, instead of fluctuating around a constant value.

Associated revisions

Revision 9696f6dd (diff)
Added by Berk Hess about 3 years ago

Fixed g_energy Einstein viscosity

The g_energy -vis Einstein viscosity output was obviously incorrect.
This bug has been introduced in version 4.5.
Fixes #1516

Change-Id: I5ffc1a232f0c64769cc438c977b757e8d8b55b98

History

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

Gerrit received a related patchset '1' for Issue #1516.
Uploader: Berk Hess ()
Change-Id: I5ffc1a232f0c64769cc438c977b757e8d8b55b98
Gerrit URL: https://gerrit.gromacs.org/3538

#2 Updated by David van der Spoel about 3 years ago

  • Status changed from New to Closed

#3 Updated by David van der Spoel about 3 years ago

  • Status changed from Closed to Resolved

#4 Updated by David van der Spoel about 3 years ago

  • Status changed from Resolved to Closed

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