BioD PNPI Git Repos - alexxy/gromacs.git/commit

author	kanduri <kanduri@cscs.ch>
	Tue, 30 Mar 2021 11:53:51 +0000 (11:53 +0000)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 30 Mar 2021 11:53:51 +0000 (11:53 +0000)
commit	f07c871b468b9c5e3d05bf9c67d60e0712e0bdb7
tree	4ec6612a01b0b36351fcf49d473807f409b82a75	tree \| snapshot
parent	98db7166723580c87e8bf1df1af20ea552e7dc18	commit \| diff

Turn t_forcerec.shift_vec into an std::vector of gmx::RVec

Change function signatures so that call sites have minimal changes

24 files changed:

api/nblib/gmxsetup.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdtypes/forcerec.h		diff \| blob \| history
src/gromacs/nbnxm/atomdata.cpp		diff \| blob \| history
src/gromacs/nbnxm/atomdata.h		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_system.cpp		diff \| blob \| history
src/gromacs/nbnxm/kerneldispatch.cpp		diff \| blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp		diff \| blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.h		diff \| blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp		diff \| blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h		diff \| blob \| history
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp		diff \| blob \| history
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h		diff \| blob \| history
src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp		diff \| blob \| history
src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h		diff \| blob \| history
src/gromacs/nbnxm/nbnxm.h		diff \| blob \| history
src/gromacs/nbnxm/pairlistset.h		diff \| blob \| history
src/gromacs/nbnxm/pairlistsets.h		diff \| blob \| history
src/gromacs/nbnxm/prunekerneldispatch.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.h		diff \| blob \| history
src/gromacs/pbcutil/tests/pbc.cpp		diff \| blob \| history

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