biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 85ef063) | patch
Add cross-correlation as density simlarity measure
authorChristian Blau <cblau@gwdg.de>
Fri, 13 Sep 2019 08:32:50 +0000 (10:32 +0200)
committerChristian Blau <cblau@gwdg.de>
Sun, 22 Sep 2019 14:17:31 +0000 (16:17 +0200)
commit57466565687dcf86b6867fff52f45d2305d80f6b
tree12fd4e6da842a515f2cf3d621ce40dd75621edd8tree | snapshot
parent85ef063c53f77a3423b2943d16d1d2f3759aa1bfcommit | diff
Add cross-correlation as density simlarity measure

Add the canonical cross-correlation as similarity measure for densities

refs #2282

Change-Id: Idec820f38dab07c5ee8281944855a532a587a2ff
docs/reference-manual/special/density-guided-simulation.rst diff | blob | history
src/gromacs/applied_forces/densityfittingoptions.cpp diff | blob | history
src/gromacs/applied_forces/tests/densityfittingoptions.cpp diff | blob | history
src/gromacs/math/densityfit.cpp diff | blob | history
src/gromacs/math/densityfit.h diff | blob | history
src/gromacs/math/tests/densityfit.cpp diff | blob | history
src/gromacs/math/tests/refdata/DensitySimilarityTest_CrossCorrelationGradientIsCorrect.xml [new file with mode: 0644] blob
src/gromacs/math/tests/refdata/DensitySimilarityTest_RelativeEntropyGradientIsCorrect.xml diff | blob | history
Local GROMACS mirror with custom stuff