Project

General

Profile

Bug #2972

small bug in anaeig when comparing two eigenvector files

Added by Carlo Camilloni about 1 year ago. Updated 12 months ago.

Status:
Closed
Priority:
Normal
Assignee:
-
Category:
-
Target version:
-
Affected version - extra info:
2018.x, 2019.x
Affected version:
Difficulty:
uncategorized
Close

Description

is src/gromacs/gmxana/gmx_anaeig.cpp

1172: neig2 = DIM*neig2;
should be
1172: neig2 = std::min(nvec2, DIM*neig2);

otherwise the comparison between eigenvector files may fail

Associated revisions

Revision 41a44e7a (diff)
Added by David van der Spoel 12 months ago

Fixed small bug in gmx anaeig

Poor use of variable names led to a small bug.

Fixes #2972
Change-Id: I244eac13dbaeeb0eac2be6531e579a125f4a66d3

History

#1 Updated by Paul Bauer 12 months ago

Hello, could you upload a test case here for this? Also, has this always been an issue or has it been recently introduced?

@David, can you comment on this?

#2 Updated by David van der Spoel 12 months ago

For some reason the patch does not show here.
https://gerrit.gromacs.org/c/gromacs/+/11958

#3 Updated by David van der Spoel 12 months ago

  • Status changed from New to Resolved

#4 Updated by Paul Bauer 12 months ago

  • Status changed from Resolved to Closed

Also available in: Atom PDF