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(parent: daf67f8) | patch
Change initial parameters for testing expfit.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Fri, 31 Jul 2015 14:51:17 +0000 (16:51 +0200)
committerRoland Schulz <roland@rschulz.eu>
Fri, 31 Jul 2015 23:36:23 +0000 (01:36 +0200)
commit6e782bdd4f7d14d1e3f96337b397b38d26cb248d
tree2003ce20aebaa0e681f565c5cdfcb53a49b8f851tree | snapshot
parentdaf67f84ef938f01eb9b08133b32337200b25511commit | diff
Change initial parameters for testing expfit.

The initial parameters for fitting the effnVAC function were very far
off the optimal ones, which leads to test failures.

Fixes an index error in the printing of the data and the fitted function,
which is useful for debugging.

Fixes #1789.

Change-Id: I3d45a3352fac735bce750bb2d9205590065b9fc2
src/gromacs/correlationfunctions/expfit.cpp diff | blob | history
src/gromacs/correlationfunctions/tests/expfit.cpp diff | blob | history
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