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(parent: f2007ba) | patch
Added warnings for ewald-geometry and surface-epsilon
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Sun, 23 Nov 2014 11:01:02 +0000 (12:01 +0100)
committerBerk Hess <hess@kth.se>
Mon, 24 Nov 2014 08:29:09 +0000 (09:29 +0100)
commit53526cfeb578e443b9869cc5eb2e89a86aa647dc
tree6eb9730c6895cc6e1994b8bb7d16d334753303bctree | snapshot
parentf2007baaf33978684bde92ecc1b43f57d6525666commit | diff
Added warnings for ewald-geometry and surface-epsilon

ewald-geometry and surface-epsilon require the system dipole,
which will be incorrect when charge groups with net charge cross pbc.
grompp now checks and warns for this.
Refs #1645.

Change-Id: I02e317cbddb47256f942312ec53c5bab2b13be2a
src/kernel/readir.c diff | blob | history
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