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696. By Nick Papior on 2017-03-24

Added scripts for installing netcdf-4 and flook libraries

To aid the user experience I have added two scripts which enables
easy installation of NetCDF with CDF4 compliance, and flook library.

Both make SIESTA more userfriendly due to easier post-processing tools
and easier MD, geometry relaxation algorithms.

695. By Nick Papior on 2017-03-22

Enabled reading TS.Atoms.Buffer using a direct list

This is just slightly easier than using a full block if
the atoms are consecutive.
Also updated documentation to reflect this.

694. By Nick Papior on 2017-03-22

Fixed fixed-spin calculations when writing to XML

There was a bug in writing the Efs array to the XML output.
This has been fixed.

693. By Nick Papior on 2017-03-15

Fixed running flook without a file

Commit r692 introduced a bug. This is now fixed.

692. By Nick Papior on 2017-03-15

Updated flook interaction with flos

Now flos is easier to implement and the routines
for interaction has been changed from:
  siesta_get/siesta_return
to
  siesta.receive/siesta.send
to reflect their nature.
There were some problems with the return keyword.

691. By Nick Papior on 2017-03-11

Fixed sorting bug in tbtrans introduced in 588

It affected all calculated quantities if these flags
were true and the sparse pattern was not already sorted:
TBT.DOS.A
TBT.Current.Orb

690. By Nick Papior on 2017-03-06

Fixed sequence of reading the TBT.k block/list now TBT.k is always preferred

689. By Nick Papior on 2017-03-02

Removed unneeded pre-processor flag in tbt_tri_scat

Now the orbital currents are always with - E * S for energy scaling.
(Note, they were also before this commit)

688. By Nick Papior on 2017-03-01

Removed unused variables in tbtrans files, and in m_ts_sparse

687. By Nick Papior on 2017-02-28

Bugfix in fdict string deletion

Fixed a deletion of iso_var_str.