| commit | 30d81b8ffb2c3513768e531d658cee7341b30767 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 13 Jun 2018 15:19:59 +0000 (13 17:19 +0200) | ||
| committer | Berk Hess <hess@kth.se> | |
| Wed, 27 Jun 2018 21:20:17 +0000 (27 23:20 +0200) | ||
| tree | 3ba8b5c063709b28c232f20ac305db887d9cb207 | treesnapshot (tar.gz zip) |
| parent | 54e2b955e43ffb600f85172dad2f5a6d61db8dd2 | commitdiff |
Base vacuum DD on atom coordinates
The domain decomposition partitioning for vacuum system was based
on the distribution of centers of geometry of charge groups.
But there is no reason not to use the atom positions, which results
in a better distribution and simpler code.
Also replaced several rvec pointers by arrayrefs.
Change-Id: I49b9b97f5f7beed838f9cf10382e17f7bde69906
The domain decomposition partitioning for vacuum system was based
on the distribution of centers of geometry of charge groups.
But there is no reason not to use the atom positions, which results
in a better distribution and simpler code.
Also replaced several rvec pointers by arrayrefs.
Change-Id: I49b9b97f5f7beed838f9cf10382e17f7bde69906