Move constraints related logic to constraints file
authorArtem Zhmurov <zhmurov@gmail.com>
Mon, 8 Jun 2020 19:54:21 +0000 (19:54 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 8 Jun 2020 19:54:21 +0000 (19:54 +0000)
commitbf3d921f2760196d4ccbb07e3c0eafca98131720
tree3760ed477a0623bea19ff7b16af07c05d2195b2e
parenta7e51062b4d29061a82b74de3935a627cdce35c9
Move constraints related logic to constraints file

The constrain_coordinates/velocities functions are not related to
update in any way. Also, they share most of the logic, which is now
unified in apply method of Constrints object.
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/constr.h
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/shellfc.cpp
src/gromacs/modularsimulator/constraintelement.cpp