| commit | 29943fe59dca471b202e72373c7c4a0133a185d1 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 19 Feb 2016 19:00:28 +0000 (19 20:00 +0100) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Mon, 22 Feb 2016 09:26:04 +0000 (22 10:26 +0100) | ||
| tree | 770d85cd3b426984cccd4ad2d9c392a9290d5140 | treesnapshot (tar.gz zip) |
| parent | 65e33d97eb2cb8e2192831c614aae230b195711f | commitdiff |
Move init of specialized dynamical algorithms to do_md
These algorithms only make sense with dynamical integrators, so they
should be initialized in do_md.
Noted TODO for essential dynamics, which has a non-trivial interaction
with the constraint code, and no test coverage.
Noted TODO for swapcoords, which has no clean-up code.
Change-Id: I584ad264ef1b0ecfcb4fb95bf7b595a02d668114
These algorithms only make sense with dynamical integrators, so they
should be initialized in do_md.
Noted TODO for essential dynamics, which has a non-trivial interaction
with the constraint code, and no test coverage.
Noted TODO for swapcoords, which has no clean-up code.
Change-Id: I584ad264ef1b0ecfcb4fb95bf7b595a02d668114