Remove unneeded members from nb_kernel_data_t
authorejjordan <ejjordan@kth.se>
Tue, 23 Mar 2021 15:56:26 +0000 (16:56 +0100)
committerJoe Jordan <ejjordan12@gmail.com>
Wed, 24 Mar 2021 07:27:42 +0000 (07:27 +0000)
commit30c4c5626c32c93d382e8f29fb145bc1016b3483
treea0f2797edae6cc2e96756653ee8788b7297632d6
parentbe81786989580c0cc5a98a37e32cd6fa46be3678
Remove unneeded members from nb_kernel_data_t

Several unused members are removed from nb_kernel_data_t. Additionally,
some members that can be passed directly from the gmx_enerdata_t
struct are removed, and instead added to the call signature of
gmx_nb_free_energy_kernel. This expansion of the call signature
is the only way to get rid of the real* members of nb_kernel_data_t.
Also, function with no implementation is removed.
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/gmxlib/nonbonded/nb_free_energy.h
src/gromacs/gmxlib/nonbonded/nb_kernel.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/nbnxm/kerneldispatch.cpp