Density similarity measure and gradient
commite559e6f4b0c72ed18262a5f39affe2aba7004f55
authorChristian Blau <cblau@gwdg.de>
Wed, 17 Apr 2019 11:43:52 +0000 (17 13:43 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 18 Jun 2019 19:45:49 +0000 (18 21:45 +0200)
tree3b2fbe259045980519b858d2654d06c09897302b
parente887207f49a483c2d498492b5829689e52fef401
Density similarity measure and gradient

Adding a class that allows evaluating the similarity of three dimensional
densities and their gradient given a comparison method, along with a
concrete implementation of the inner-product as a comparison method.

refs #2282

Change-Id: Id73f237e123bed14241227b84cbf83970a09ff49
src/gromacs/math/densityfit.cpp [new file with mode: 0644]
src/gromacs/math/densityfit.h [new file with mode: 0644]
src/gromacs/math/tests/CMakeLists.txt
src/gromacs/math/tests/densityfit.cpp [new file with mode: 0644]