Use std::vector in NbnxnPairlistCpu
authorBerk Hess <hess@kth.se>
Fri, 14 Dec 2018 09:59:26 +0000 (10:59 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 10 Jan 2019 10:32:08 +0000 (11:32 +0100)
commit0b1dda5bcf2232383f5d871846729078b447053e
tree822b06eff3987626bf559d389e41e2f3d8cedf0a
parent054b62b7666c944c1937b6ae8d98f4054c4dc241
Use std::vector in NbnxnPairlistCpu

All pointers in NbnxnPairlistCpu have been replaced by std::vector.
This change is only refactoring. The only, local, functionality change
is that during list creation and entry is added to the later and later
removed when empty instead of operating on an entry that is located
one beyond the list size.

Change-Id: I984e879d1f2fa52d74aafc5c4da09c7eefbb99fb
13 files changed:
src/gromacs/mdlib/nbnxn_internal.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_cpu.cpp
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_prune.cpp
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_prune.cpp
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_outer.h
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_prune.cpp
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_outer.h
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_prune.cpp
src/gromacs/mdlib/nbnxn_pairlist.h
src/gromacs/mdlib/nbnxn_search.cpp
src/gromacs/mdlib/nbnxn_search_simd_2xnn.h
src/gromacs/mdlib/nbnxn_search_simd_4xn.h