Use unique_ptr in nonbonded_verlet_t
authorBerk Hess <hess@kth.se>
Thu, 21 Feb 2019 19:56:04 +0000 (20:56 +0100)
committerBerk Hess <hess@kth.se>
Thu, 28 Feb 2019 08:45:55 +0000 (09:45 +0100)
commitaf6a1d6daa7473ca1174681e3c89e5c3c04a168c
tree0ebeeeefdde3c5b2493210223e81836f79594733
parent6fc798c3d663108fcb28dbf8ce49f019d2a3b15c
Use unique_ptr in nonbonded_verlet_t

Changed nonbonded_verlet_t and all its pointer members to unique_ptr,
except for the GPU struct, because its contents is currently only
visible in the cuda/opencl part of the code.

Change-Id: I710b4db7a08ebf8d892b2dd9417ab82fbccf1ed2
18 files changed:
src/gromacs/domdec/partition.cpp
src/gromacs/ewald/pme_load_balancing.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/nbnxm/atomdata.cpp
src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu
src/gromacs/nbnxm/gpu_data_mgmt.h
src/gromacs/nbnxm/gpu_types.h
src/gromacs/nbnxm/grid.cpp
src/gromacs/nbnxm/kerneldispatch.cpp
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_setup.cpp
src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
src/gromacs/nbnxm/pairlist.cpp
src/gromacs/nbnxm/prunekerneldispatch.cpp