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Committer:
Nick Papior
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Date:
2017-12-28 13:00:52 UTC
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Revision ID:
nickpapior@gmail.com-20171228130052-uxqnc6f1u4hzvbj9
Extended PDOS files with more metadata
The PDOS xml output now also adds:
- Z: atomic number
- P: true/false for polarization orbital
Also reduced temporary arrays and merged to loops.
Renamed pdos.xml file to siesta.PDOS.xml to make it
system-label dependent.
I have checked the utilities and there is no problems with
those.