Clarify the EnergyOutput III
commit2eb0c026afa059c52f06dbeec23aa2ba0de4ab87
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 16 Apr 2019 14:40:35 +0000 (16 16:40 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 24 May 2019 14:43:51 +0000 (24 16:43 +0200)
tree7f09e758217223e460988c5e20de9040ef1ede49
parentda52d0b2703d96af44abc3d8c8b9ea327e8d8c34
Clarify the EnergyOutput III

Making the EnergyOutput into the proper class. The t_mdebin structure
contents was made into the private fields of the object, prepare()
method was transformed into constructor. Legacy printing helper
functions merged into class methods.

Change-Id: Ia97650f8e74c6c08ee9735ba5e973c051b14784c
src/gromacs/mdlib/energyoutput.cpp
src/gromacs/mdlib/energyoutput.h
src/gromacs/mdlib/tests/energyoutput.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp