used-atoms and electrode check

Bug #1639779 reported by Nick Papior
6
This bug affects 1 person
Affects Status Importance Assigned to Milestone
Siesta
Status tracked in Trunk
4.1
Fix Released
High
Nick Papior
Trunk
Fix Released
High
Nick Papior

Bug Description

If the number of used atoms in an electrode is smaller than the number of atoms in the electrode then the check for nearest neighbour unitcells does not take this into account.

This is important so people do not accidentally reduce the electrode size to un-physical sizes.

Related branches

Nick Papior (nickpapior)
summary: - num-used atoms and electrode check
+ used-atoms and electrode check
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