Residual forces are including ghost
Bug #1816427 reported by
Nick Papior
This bug affects 1 person
| Affects | Status | Importance | Assigned to | Milestone | |
|---|---|---|---|---|---|
| Siesta |
Confirmed
|
Undecided
|
Unassigned | ||
Bug Description
Residual in force print-out include ghost atoms.
I think it would be wiser to change write_forces to consider only atoms which are not ghost-atoms
Possibly creating a 2nd/3rd block for ghost-atoms and/or inclusion of ghost atoms.
This could go in either 4.0 or 4.1?
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