| commit | f312b8a6a8ae8bfbb9c4c0c8e3e5c63877b31cac | |
| author | Berk Hess <hess@kth.se> | |
| Fri, 27 Nov 2015 14:38:32 +0000 (27 15:38 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 19 Apr 2016 15:56:17 +0000 (19 17:56 +0200) | ||
| tree | 06242bc4cc0aaa198595600ce3ad8e15279a26b0 | treesnapshot (tar.gz zip) |
| parent | 2f00ac17824b13dbb128c67cf338ec9890f0d05f | commitdiff |
Allow rcoulomb>rvdw with PME
We have Coulomb PME + LJ cut-off kernels that support rcoulomb>rvdw
or PME load balancing. Now we allow this setup to be chosen also
through mdp options. This is mainly a straightforward change, only
the Verlet buffer calculation needed to be adapted to support
different buffer lengths for LJ and Coulomb.
Change-Id: I9d8176656435fbdb4ec48b3dd2c7128d13c5ef07
We have Coulomb PME + LJ cut-off kernels that support rcoulomb>rvdw
or PME load balancing. Now we allow this setup to be chosen also
through mdp options. This is mainly a straightforward change, only
the Verlet buffer calculation needed to be adapted to support
different buffer lengths for LJ and Coulomb.
Change-Id: I9d8176656435fbdb4ec48b3dd2c7128d13c5ef07