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576. By Roberto Robles on 2016-11-28

Bug corrected when printing PDOS for non-collinear calculations: only the first
two components were printed.

Factor 2 was missed in third and fourth components of DOS and PDOS. Now
the four components printed for DOS and PDOS are: spin up and spin down along z
direction, magnetization along x and y. For consistence it could be changed
to total charge and magnetization along x, y, z.

575. By Roberto Robles on 2016-11-23

Fix in mulliken.F for writing the Spin Moments in spin polarized calculations.

574. By Roberto Robles on 2016-10-22

version.info updated

573. By Roberto Robles <email address hidden> on 2016-10-13

Output modified to include spin information after Mulliken analysis.

SpinInSCF keyword added to print spin information at each SCF step.

moments.F now prints the spin moments instead of spins (factor 2).

572. By Nick Papior on 2016-10-11

Merged 4.1, r587--589

- Fixed MD CG method by reusing DM
- Enabled super-cell bond-currents in tbtrans
- Bug discovered which happened sometimes using
  linear kick

571. By Nick Papior on 2016-10-06

Merged 4.0, r502

No changes, changes equivalent to 4.1 r586.

570. By Nick Papior on 2016-10-06

Merged 4.1, r586

This merge contains several improvemenst:

- Update linalg method such that only libsiestaBLAS/LAPACK
  may be used. All older codes have been removed.
  This is also reflected in the manual.

  Fixes lp:1627041

- Added citation of transiesta and PEXSI

- Removed all configure related stuff, as it has
  not been updated in several years it has been decided
  to remove until we can get it back in.

- Fixed problems with m_mpi_utils

- Fixed SlabDipoleCorrection settings for backwards
  compatibility

  Fixes lp:1630827

569. By Rafi Ullah on 2016-09-28

Implementation of Real-Time TDDFT

This implementation of Real-Time Time-Dependent Density Functional
Theory (RT-TDDFT) is based on an earlier one (serial only) by Daniel
Sanchez-Portal (ca. 2000-01) which had never been formally merged into
Siesta.

It currently only works for gamma-point calculations.

Please see the manual for options, and the file
Docs/branch-changes/NOTES.tddft for a technical overview.

(Rafi Ullah, based on work by Daniel Sanchez-Portal)

568. By Alberto Garcia on 2016-09-27

Removed dead directory in Tests/Reference

567. By Alberto Garcia on 2016-09-27

Fixes from 4.1: reclat calls, .ldau_proj files