Ewald surface-epsilon is incorrect - Redmine #3441

The Ewald surface-epsilon correction term is incorrect when molecules are broken over PBC.
It should be disabled in the 2020 release.

(from redmine: issue id 3441, created on 2020-03-11 by berkhess)

  • Changesets:
    • Revision c4878aff by Berk Hess on 2020-03-17T07:47:33Z:
Disable Ewald dipole correction without DD

Refs #3441

Change-Id: I492cd136b41e57b3e2198c1f0717177fb4d46a7c
  • Revision 2548c9e0 by Berk Hess on 2020-03-18T22:04:44Z:
Use WholeMoleculeTransform for orires and epsilon-surface

Remove direct use of the graph from the orientation restraint
and Ewald epsilon-surface term code by passing in whole molecules
created by the WholeMolecules class.
Since this was the only remaining use of graph in do_force(),
it can now be removed.

Also enabled the epsilon-surface mdrun-test.

Fixes #3441

Change-Id: Idfec6508c6dfd9e1a656cf23613ede3793794901