| commit | 543017dfaebacab4720bce6b6b9d9d3b7c5a9917 | |
| author | Berk Hess <hess@kth.se> | |
| Thu, 17 Sep 2020 12:13:57 +0000 (17 14:13 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 17 Sep 2020 14:31:39 +0000 (17 14:31 +0000) | ||
| tree | 9ea42dddb26dbf0076ca86117876fb689a65561b | treesnapshot (tar.gz zip) |
| parent | 7d3adea6e2c155829f8d2e67434ec16f783c2a12 | commitdiff |
Move bNonbonded flag from t_forcerec to SimulationWorkload
The flag to store whether nonbonded calculations are requested to be
skipped (set by env.var.) is move from t_forcerec to
SimulationWorkload. A minor side-effect of this change is that the
nbnxn module logs kernels choices when this option is set.
The flag to store whether nonbonded calculations are requested to be
skipped (set by env.var.) is move from t_forcerec to
SimulationWorkload. A minor side-effect of this change is that the
nbnxn module logs kernels choices when this option is set.