lp:~albertog/siesta/4.1-nl

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591. By Alberto Garcia on 2016-11-04

Sync to 4.1-607

590. By Alberto Garcia on 2016-11-04

Add initialization and cosmetic fixes

Even though a de-facto initialization was achieved by the
call to 'superc' in 'state_init', the new array 'in_kb_orb_u_range'
is now explicitly initialized in 'hsparse'.

Cosmetic changes in 're_alloc' statements.

(Thanks to Nick Papior)

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

589. By Alberto Garcia on 2016-11-04

Check for floating species. Add simple counters

588. By Alberto Garcia on 2016-10-10

Optimized nlefsm

587. By Nick Papior on 2016-10-06

MD methods other than CG did not allow re-use of DM, fixes lp:1630849

Now it defaults to at least 1 extrapolation.

586. By Nick Papior on 2016-10-06

Did not allow user control of SlabDipoleCorrection, fixes lp:1630827

For backwards compatibility it is nice to be able to turn off the
SlabDipolecorrection such that one can compare against older versions.
This was a mistake.

585. By Nick Papior on 2016-10-05

Forgot to actually delete the configure files and other obsoleted files

This commit should have gone together with r582

584. By Nick Papior on 2016-10-04

Updated manual to reflect changes of configure

583. By Nick Papior on 2016-10-04

Fixed m_mpi_utils for globalization of integer

There was a missing transfer if MPI wasn't defined.
Also added the missing arguments of `Comm`

582. By Nick Papior on 2016-10-04

Removed unnecessary configure/arch-make stuff

Removed all configure related stuff. This is now "obsoleted"
until an expert tells us what to do.

Moved sample arch.make files to the Obj directory. In this way
the basic examples and documentations are where people will
initially search for them.

Removed deprecated lapack/blas sources. Now one should use the full
sources in case the optimized libraries does not contain the needed
functionality.

Cleaned up Makefile.
Specifically the rule for the sockets.c file was unnecessary as
it was (almost) equal to the implicit rule of C-compilation.

Removed folders:
  Src/Sys
  Src/Conf
  Src/m4