Add reference density file option to densityfitting
commit65c6f53ae671cebbcba5ef3f07ff1ee3aea8cf23
authorChristian Blau <cblau@gwdg.de>
Mon, 2 Sep 2019 08:20:25 +0000 (2 10:20 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 5 Sep 2019 11:41:06 +0000 (5 13:41 +0200)
treeb1a730b72d5c10fb536e4ebdeb0068367d1555a4
parentac492eac8b6064422f8d5ac2bd466a3b1f72f8bd
Add reference density file option to densityfitting

Add option to density fitting to read reference density for
density fitting code.

refs #2282

Change-Id: I598b679a3c1c63b913a104d7ccff8e1643b3946d
src/gromacs/applied_forces/densityfitting.cpp
src/gromacs/applied_forces/densityfittingoptions.cpp
src/gromacs/applied_forces/densityfittingoptions.h
src/gromacs/applied_forces/tests/densityfitting.cpp
src/gromacs/applied_forces/tests/densityfittingoptions.cpp
src/gromacs/mdrun/runner.cpp