| commit | 46e0d64745a27b27a4c88f24368955b02f095eff | |
| author | Christian Blau <cblau@gwdg.de> | |
| Thu, 31 Oct 2019 10:06:16 +0000 (31 11:06 +0100) | ||
| committer | Paul Bauer <paul.bauer.q@gmail.com> | |
| Fri, 1 Nov 2019 13:54:30 +0000 (1 14:54 +0100) | ||
| tree | e8f2e79324e7daa5e240e59982b446eb95a1dbcd | treesnapshot (tar.gz zip) |
| parent | fc288891eb86d7de945d2784a860958b86e28a31 | commitdiff |
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
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 | diffblobblamehistory | |
| src/gromacs/math/tests/densityfit.cpp | diffblobblamehistory |