| commit | a3f3e88119cc37abdc25f4abb0795fc6c29b9da0 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 18 Nov 2015 08:34:59 +0000 (18 09:34 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Wed, 18 Nov 2015 08:34:59 +0000 (18 09:34 +0100) | ||
| tree | ef1b31ba1b6900899b176adf581d41e89bfa8b84 | treesnapshot (tar.gz zip) |
| parent | cbfb5bbdbcdc085d343038fa7ce97b665ad7ba41 | commitdiff |
Removed Reaction-Field-nec
The RF no exclusion correction option was only introduced for
backward compatibility and a performance advantage for systems
with only rigid molecules (e.g. water). For all other systems
the forces are incorrect. The Verlet scheme did not support this
option and if it would, it wouldn't even improve performance.
Change-Id: Ic22ccf76d50b5bb7951fcac2293621b5eef285c5
The RF no exclusion correction option was only introduced for
backward compatibility and a performance advantage for systems
with only rigid molecules (e.g. water). For all other systems
the forces are incorrect. The Verlet scheme did not support this
option and if it would, it wouldn't even improve performance.
Change-Id: Ic22ccf76d50b5bb7951fcac2293621b5eef285c5