Work around memory leak in t_state
commitec827264a3a43f174d6d64f5ec1b2df438d1bbae
authorTeemu Murtola <teemu.murtola@gmail.com>
Sat, 15 Oct 2016 03:11:17 +0000 (15 06:11 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Sat, 15 Oct 2016 03:38:34 +0000 (15 06:38 +0300)
treee4f2d80f88d8138751013abceebb69336ace6f21
parent40e358ec78e57cff212fd0bdcec179119b9a9741
Work around memory leak in t_state

Use std::shared_ptr for t_state.enerhist, which should have the same
semantics as the earlier plain pointer, but ensure that the memory gets
eventually freed.

Change-Id: Ibe291261eb4997035a5165130ee01d309a1dc395
src/gromacs/fileio/checkpoint.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/trajectory_writing.cpp
src/gromacs/mdtypes/state.cpp
src/gromacs/mdtypes/state.h
src/programs/mdrun/md.cpp