Clean up ekind struct
authorKevin Boyd <kevin.boyd@uconn.edu>
Mon, 31 Dec 2018 20:07:32 +0000 (15:07 -0500)
committerBerk Hess <hess@kth.se>
Mon, 7 Jan 2019 12:36:34 +0000 (13:36 +0100)
commit0823a1e2e659195d7ff79e30926d2c2a0fbc000b
treec8a7576d70d8991a0f64de3ab88538de37c8b45e
parent8d3da2fb965dbed25458175fb9434a0f91a29644
Clean up ekind struct

Changed to unique_ptr in mdrun, rerun, mimic

Changed pointer arrays to vector where possible

Used ArrayRef to refer to vectors in functions

Freed remaining memory leaks in ekind destructor

Change-Id: Ida1ab594334009a9fe22f4bd8d5bc8d9050811e3
src/gromacs/mdlib/coupling.cpp
src/gromacs/mdlib/tgroup.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdtypes/group.cpp [new file with mode: 0644]
src/gromacs/mdtypes/group.h