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(parent: 97161d2) | patch
Fixed the output format of g_principal
authorErik Lindahl <erik@kth.se>
Mon, 26 May 2014 12:41:58 +0000 (14:41 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 9 Jun 2014 17:48:17 +0000 (19:48 +0200)
commit97c3c3a993d0aec624af2004a1bdc9e47c2b04bc
tree127d9454d98c1ee6ad30e4cf4498e07ea7550551tree | snapshot
parent97161d2601f4f98a45d49de2ef8f630f18c94455commit | diff
Fixed the output format of g_principal

Gromacs-4.6 and earlier versions had the output transposed. This
patch fixes it such that paxisN.dat contains the x/y/z components
of the N:th prinicipal axis. The default file output names have
been changed to paxisN.dat to increase the probability that users
who rely on old scripts will need to read the help text and find
the changed format.

Fixes #1441, related to #609.

Change-Id: Ic1ed9370145d3389ae8f43c2a419765dabf3a66f
src/gromacs/gmxana/gmx_principal.c diff | blob | history
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