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(parent: a12ff78) | patch
Use ArrayRefs instead of mdatoms in gmx_nb_free_energy_kernel signature
authorJoe Jordan <ejjordan12@gmail.com>
Fri, 26 Mar 2021 12:08:14 +0000 (12:08 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Fri, 26 Mar 2021 12:08:14 +0000 (12:08 +0000)
commit6a14a91d447dc50bfa4b0cbee1d85d2ce9000dbd
treeb24faf8616ff1f3bb3692ff22cfbc57e6a04f6bbtree | snapshot
parenta12ff7816d5e142306b0e4f658e7e0c34390f9e1commit | diff
Use ArrayRefs instead of mdatoms in gmx_nb_free_energy_kernel signature

In addition to helping facilitate the coming mdatoms refactoring,
this is needed to facilitate calling gmx_nb_free_energy_kernel from
nblib without constructing mdatoms.
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp diff | blob | history
src/gromacs/gmxlib/nonbonded/nb_free_energy.h diff | blob | history
src/gromacs/mdlib/sim_util.cpp diff | blob | history
src/gromacs/nbnxm/kerneldispatch.cpp diff | blob | history
src/gromacs/nbnxm/nbnxm.h diff | blob | history
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