lp:~albertog/siesta/4.1-fix-spin

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835. By Alberto Garcia on 2018-03-05

Merge Nick's clarifications of diag2g and diag2k

Nick has changed the DM-building sections of diag2g and diag2k
so that they resemble the same operations in diag3g and diag3k.
This is more clear and maintainable.

Merged branch lp:~nickpapior/siesta/4.1-fix-spin

834. By Alberto Garcia on 2018-03-05

Put print_spin in state_init. Wrap it in muldeb in compute_dm

Remove the call to print_spin from setup_hamiltonian and put it
in compute_dm (wrapped in the mulliken in scf block).

Add a call to print_spin in state_init for the initial spin.

833. By Alberto Garcia on 2018-01-25

Fix bug in setting up H(7) and H(8) in SO

832. By Alberto Garcia on 2017-12-22

Insert comment in mulliken (might fix)

831. By Alberto Garcia on 2017-12-21

Fix nspin in some I/O routines

830. By Alberto Garcia on 2017-12-21

Fix DM generation, Ebs, Eharr in noncol

829. By Nick Papior on 2017-12-18

Merged r547, ion.nc read/writes

828. By Nick Papior on 2017-12-15

Added ghost to siesta.nc files

Now the Ghost atom orbital information is also saved in the
siesta.nc file. Upcoming fix should also include the ghost.ion.nc
files by simply neglecting the KB-projectors.

Bugfix for the latest commit.

827. By Nick Papior on 2017-12-15

Bugfix for Lua runs without a Lua-file

When one requests a Lua MD type-of-run it would continue
to run the same MD-setup if no Lua file was present.
This is now fixed by killing siesta if no lua file is present.

826. By Nick Papior on 2017-12-15

Merged r546, Bessel ion-writes