Modernize t_nrnb
authorJoe Jordan <ejjordan12@gmail.com>
Tue, 23 Mar 2021 10:15:33 +0000 (10:15 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 23 Mar 2021 10:15:33 +0000 (10:15 +0000)
commit5ee95dea7247bb0e93deeccb030d942fa41b169c
tree36acb537ad797efd328f8b92dbcace32699d1506
parent6af73f1a4dd9b17cb0d90bdb959c3489de9f5f3a
Modernize t_nrnb

* Use array instead of pointer.
* Remove unused functions.
* Add doxygen to inc_nrnb.
* Use inline function instead of macro in all places where possible.
* Remove unused headers.
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/gmxlib/nrnb.cpp
src/gromacs/gmxlib/nrnb.h
src/gromacs/mdrun/runner.cpp