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(parent: fc28889) | patch
Fix cross-correlation calculation instability
authorChristian Blau <cblau@gwdg.de>
Thu, 31 Oct 2019 10:06:16 +0000 (11:06 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 1 Nov 2019 13:54:30 +0000 (14:54 +0100)
commit46e0d64745a27b27a4c88f24368955b02f095eff
treee8f2e79324e7daa5e240e59982b446eb95a1dbcdtree | snapshot
parentfc288891eb86d7de945d2784a860958b86e28a31commit | diff
Fix cross-correlation calculation instability

Fixes a fail in calculating the cross-correlation for density guided
simulations in cases where the covariance between densities values had
been negative.

refs #2282

Change-Id: Ibd2a88768eba25c4836b8f692fd9d61e8960e073
src/gromacs/math/densityfit.cpp diff | blob | history
src/gromacs/math/tests/densityfit.cpp diff | blob | history
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