| commit | 3d6ef97802c05e179038575e56a7d11f7537935a | |
| author | Berk Hess <hess@kth.se> | |
| Fri, 2 Sep 2016 12:59:28 +0000 (2 14:59 +0200) | ||
| committer | Berk Hess <hess@kth.se> | |
| Sat, 3 Sep 2016 13:58:58 +0000 (3 15:58 +0200) | ||
| tree | c6ea2e667f8492eba6a00893b8331910d7e53c91 | treesnapshot (tar.gz zip) |
| parent | 5b4c0d0c1b1bf849b055b1cd9a609f5fd3101b45 | commitdiff |
Clean up PME flags variable use
PME flag bits for triggering Coulomb and/or LJ calculations were mixed
between different flags variables. These flag bits are now removed,
because they passed constant values based on inputrec.
Similarly, the free-energy calculation flags were never changed during
a run and have also been removed.
Note that these calculations probably could/can actually be run
selectively, but that should be tested.
Change-Id: Ib8e121fd08f2dd8776d29b0f896b3df2322ecf6d
PME flag bits for triggering Coulomb and/or LJ calculations were mixed
between different flags variables. These flag bits are now removed,
because they passed constant values based on inputrec.
Similarly, the free-energy calculation flags were never changed during
a run and have also been removed.
Note that these calculations probably could/can actually be run
selectively, but that should be tested.
Change-Id: Ib8e121fd08f2dd8776d29b0f896b3df2322ecf6d