Added pull coordinate geometry angle-axis
commitbec9c8757e59cae58fc61ed841c0bb73c84079db
authorViveca Lindahl <vivecal@kth.se>
Mon, 21 Sep 2015 16:18:38 +0000 (21 18:18 +0200)
committerViveca Lindahl <vivecalindahl@gmail.com>
Fri, 18 Mar 2016 15:05:26 +0000 (18 16:05 +0100)
treef274069bfa3a7f23001edf35cb59523353cb599c
parentf8f8d51df5ac73433c1d4ee10b61d11872aa3e7b
Added pull coordinate geometry angle-axis

The new geometry is described in the docs.
Some checks in readpull.cpp where reorganized since adding new
geometries made some old logic a bit convoluted.

Change-Id: I310891740d65e3c47948a06726e7a9e7c974bc44
docs/manual/special.tex
docs/user-guide/mdp-options.rst
src/gromacs/gmxana/gmx_wham.cpp
src/gromacs/gmxpreprocess/readpull.cpp
src/gromacs/math/vec.h
src/gromacs/mdtypes/md_enums.cpp
src/gromacs/mdtypes/md_enums.h
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull_internal.h
src/gromacs/pulling/pullutil.cpp