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(parent: b6a9f60) | patch

author	Christian Blau <cblau.mail@gmail.com>
	Thu, 10 Sep 2020 19:04:49 +0000 (19:04 +0000)
committer	Joe Jordan <ejjordan12@gmail.com>
	Thu, 10 Sep 2020 19:04:49 +0000 (19:04 +0000)
commit	26ebcaa8ccb532c83add6bb124ff900a64d75356
tree	a65ab8b2922e6806d8bf523fd745cce6df0d1176	tree \| snapshot
parent	b6a9f6084ec2e469aebc111565ad8a5314b7ec9e	commit \| diff

Simplify and fix how lambda values are set

Simplified setCurrentLambdasLocal method to return an array of
current lambda points. Removed the faulty use of lam0 as initial
lambdas.

15 files changed:

src/gromacs/gmxana/gmx_bar.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/mdlib/freeenergyparameters.cpp	[new file with mode: 0644]	blob
src/gromacs/mdlib/freeenergyparameters.h	[new file with mode: 0644]	blob
src/gromacs/mdlib/md_support.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.h		diff \| blob \| history
src/gromacs/mdlib/tests/CMakeLists.txt		diff \| blob \| history
src/gromacs/mdlib/tests/freeenergyparameters.cpp	[new file with mode: 0644]	blob
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdrun/mimic.cpp		diff \| blob \| history
src/gromacs/mdrun/minimize.cpp		diff \| blob \| history
src/gromacs/mdrun/rerun.cpp		diff \| blob \| history
src/gromacs/mdtypes/state.cpp		diff \| blob \| history
src/gromacs/mdtypes/state.h		diff \| blob \| history
src/gromacs/modularsimulator/freeenergyperturbationdata.cpp		diff \| blob \| history

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