Hold unique_ptr for interaction_const in forcerec
authorJoe Jordan <ejjordan12@gmail.com>
Mon, 22 Feb 2021 17:35:53 +0000 (17:35 +0000)
committerChristian Blau <cblau.mail@gmail.com>
Mon, 22 Feb 2021 17:35:53 +0000 (17:35 +0000)
commit70f43d006ed41da846e940a1eb1f5fd4c0ff3f69
tree27350970d0bbab29dbda10793db8f804cd582bdf
parent294d9e72505187cda6cf62942da8431f23eff9f3
Hold unique_ptr for interaction_const in forcerec

Also renamed ic->interactionConst in init_interactionConst.
src/gromacs/domdec/partition.cpp
src/gromacs/ewald/pme_load_balancing.cpp
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/wall.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/nbnxm/nbnxm_setup.cpp