There are changes in parts of the code which are not relevant.
Specifically the cold smearing method has been removed! Possibly due to a faulty merge.
Also there were changes to TD-DFT.
I would like a clean-up of comments which is scattered all-over.
Lastly, the use of the spin type should be used throughout (we might as well do it now).
My personal opinion would be to: spin%SO_offsite change to spin%SO_off
spin%SO_offsite should *only* be true for SO calculations AND off site version. Otherwise false. This allows easier if-statements throughout the code.
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There are changes in parts of the code which are not relevant.
Specifically the cold smearing method has been removed! Possibly due to a faulty merge.
Also there were changes to TD-DFT.
I would like a clean-up of comments which is scattered all-over.
Lastly, the use of the spin type should be used throughout (we might as well do it now).
My personal opinion would be to:
spin%SO_offsite change to spin%SO_off
spin%SO_offsite should *only* be true for SO calculations AND off site version. Otherwise false.
This allows easier if-statements throughout the code.