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(parent: 4b975e7) | patch
Split off the NMR related analyses from gmx energy.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 23 May 2017 11:20:30 +0000 (13:20 +0200)
committerBerk Hess <hess@kth.se>
Mon, 23 Oct 2017 07:38:15 +0000 (09:38 +0200)
commitd44255e1baa0c48eec3832f69be95cdb18e878b2
treec4d18ee3fcbb9397f8754e591eca96ce834656f6tree | snapshot
parent4b975e76667919a586b8fdade9d4a4f3033f1675commit | diff
Split off the NMR related analyses from gmx energy.

A new tool gmx nmr is created by straight copying code from
gmx energy to a new tool. The reason is to reduce complexity.

A few cleanups are introduced to pass the valgrind memory
test.

Added references the gmx nmr in the manual.

Change-Id: I8e4d1dec8806a0518c571d7a01c4f70de5bbbd35
docs/manual/forcefield.tex diff | blob | history
src/gromacs/energyanalysis/tests/legacyenergy.cpp diff | blob | history
src/gromacs/gmxana/gmx_ana.h diff | blob | history
src/gromacs/gmxana/gmx_energy.cpp diff | blob | history
src/gromacs/gmxana/gmx_nmr.cpp [new file with mode: 0644] blob
src/programs/legacymodules.cpp diff | blob | history
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