Add density fitting parameters
authorChristian Blau <cblau@gwdg.de>
Fri, 23 Aug 2019 12:24:13 +0000 (14:24 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 27 Aug 2019 15:03:37 +0000 (17:03 +0200)
commit87630dc4c0c6e4be625e7439828519650ba4a53a
tree357bcd09a442cc05eee58cfffb778c2a92a7b115
parentecd9ba25f9ed89d0211e011a706ddc69f8a19553
Add density fitting parameters

Adds the mdp parameters that are required for running a
density fitting simulation.

refs #2282

Change-Id: Id22ceee0f0036450173522bd5e85af06542a2c39
src/gromacs/applied_forces/densityfittingoptions.cpp
src/gromacs/applied_forces/densityfittingoptions.h
src/gromacs/applied_forces/densityfittingparameters.cpp
src/gromacs/applied_forces/densityfittingparameters.h
src/gromacs/applied_forces/tests/densityfittingoptions.cpp
src/gromacs/math/densityfit.h