Removed generalized reaction-field
authorBerk Hess <hess@kth.se>
Fri, 26 Jul 2019 11:29:35 +0000 (13:29 +0200)
committerBerk Hess <hess@kth.se>
Sun, 28 Jul 2019 20:28:28 +0000 (22:28 +0200)
commit8686ef99367dc836332c6a1fba8043ba990205fa
tree44e241c54478615a077b09c39812e0898514f024
parenta8f2562129c93ea7a3738cd3800e3614daff5dfc
Removed generalized reaction-field

This only worked correctly with the group scheme and charge groups.
Although this could be implemented by using net charges of molecules,
having the interaction function depend on the system volume and
temperature complicates the code and correctness checking.

Change-Id: If29b28772cd83524c5984f64cfcd88cc4060ca36
14 files changed:
docs/reference-manual/functions/nonbonded-interactions.rst
docs/reference-manual/references.rst
docs/release-notes/2020/major/removed-functionality.rst
docs/user-guide/mdp-options.rst
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdlib/rf_util.cpp
src/gromacs/mdlib/rf_util.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/mdtypes/md_enums.cpp
src/gromacs/mdtypes/md_enums.h
src/gromacs/tables/forcetable.cpp