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(parent: 7439157) | patch
Clean up matrix inversion
authorBerk Hess <hess@kth.se>
Wed, 26 Jul 2017 21:09:36 +0000 (23:09 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 2 Aug 2017 19:37:29 +0000 (21:37 +0200)
commitd042b9fad61ca021dc4b71d6d68745bad03cf97b
tree60d52c0839c65a54ed85746fd6e613f362de0a57tree | snapshot
parent743915740150ddf5891c213a65405bbda6d3dab4commit | diff
Clean up matrix inversion

This change is mainly a conversion of the orientation restraints
matrix storage from an array of pointers to a real [5][5] struct.
This requires a small change to the jacobi code which also affects
gmx_traj (in a positive way).

Change-Id: I8a960b659e8da847d1e505844535bd6fbc984814
src/gromacs/gmxana/gmx_traj.cpp diff | blob | history
src/gromacs/linearalgebra/nrjac.cpp diff | blob | history
src/gromacs/linearalgebra/nrjac.h diff | blob | history
src/gromacs/listed-forces/orires.cpp diff | blob | history
src/gromacs/mdtypes/fcdata.h diff | blob | history
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