lp:siesta/4.1

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Bug #1811464: Faulty Output of "spin components" for deprecated SpinOrbit switch	High	Fix Committed
Bug #1815735: Maximum number functions is hard-coded	Undecided	Fix Committed
Bug #1816719: vibra precision: double -> single complex -> double complex	Low	Fix Committed

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1130. By Nick Papior on 2019-10-08

Maintained some documentation

1129. By Nick Papior on 2019-10-07

Updated documentation and added fdfreplace

1128. By Nick Papior on 2019-09-26

Extend range of 'nspin' in files to tell apart NC and SOC cases

* nspin can now be: 1, 2, 4, 8. This enables utilities to distinguish
  between NC and SOC calculations, which may be useful in some cases.

* Two test cases are added:
  - bi2se3-stm-denchar
  - bi2se3-sts-denchar

* A potential bug has been fixed in ioeig: a check now catches the
  possibility that only a subset of eigenvalues are passed.

1127. By Nick Papior on 2019-09-26

Spell-correction adviced -> advised

1126. By Nick Papior on 2019-09-25

Moved newline in m_cite for clarity in output

1125. By Nick Papior on 2019-09-25

Enhanced description of ts-err-* output in manual

1124. By Nick Papior on 2019-09-25

Added TSFA/TSFAC forces output for transiesta updated atoms

When doing transiesta calculations one cannot expect forces on
buffer atoms or electrode atoms to be *correct*. In fact atoms
close to the electrode boundary are not suspected to be accurate,
at all.

This addition will ensure users *knows* which atoms are important
for their calculation. I.e. it sets all forces for buffer atoms
and electrodes which do not update the density matrix to zero.
Ideally they should print --- to really signal a different behaviour.
Lets see if this is really needed.

Amended documentation to reflect this addition.

1123. By Nick Papior on 2019-09-23

Changed citation request to be more light, and added more debugging mix::SVD

No code changes.

1122. By Nick Papior on 2019-09-20

Updated RELEASE_NOTES for 4.1 release (no beta)

Also removed Util/TS/TB since it is deprecated and
should never be used.

1121. By Nick Papior on 2019-09-20

Updated RELEASE_NOTES with (some of the) recent additions