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658. By Alberto Garcia on 2018-06-29

Merge rev 658 from linres-parallel: more documentation

- Added a libxc test in LR_TESTS
- Updated the manual and README_LINRES_LIBXC

657. By Alberto Garcia on 2018-06-28

New README, RELEASE_NOTES; some updates in manual

656. By Alberto Garcia on 2018-06-27

Merge rev 656 from linres-parallel

655. By Alberto Garcia on 2018-06-19

Sync to trunk-692. Change dvnloc.f extension

654. By Alberto Garcia on 2018-06-19

Do not require convergence in Siesta. LR-scf-iterations

653. By Alberto Garcia on 2018-06-19

Fix C60 renaming

652. By Sergio Illera Developer <email address hidden> on 2018-06-07

Makefile: typo in dependencies

dhscf.f: changed dimension of the densities drhoatm,drhoscf0 to avoid warnings in fdst-frsc pointers

dfscf2: adapted density dimension to the new ones

linresscf.F: first attemp to re-size dHmat.

README_LINRES_LIBXC: new doc stuff

651. By Sergio Illera Developer <email address hidden> on 2018-06-05

Applied Alberto's Garcia patch.

Makefile: changed some dependences

linresscf.f renamed to linresscf.F to avoid MPI conflicts

delrhog.F: moved the copy of Daux DEaux into rhoper erhoper in MPI if loop (avoiding dimension problems.

version.info

Thanks to Albeto Garcia.

650. By Sergio Illera Developer <email address hidden> on 2018-06-05

Applied Alberto's Garcia patch.

Makefile: changed some dependences

linresscf.f renamed to linresscf.F to avoid MPI conflicts

delrhog.F: moved the copy of Daux DEaux into rhoper erhoper in MPI if loop (avoiding dimension problems.

Thanks to Albeto Garcia.

649. By Sergio Illera Developer <email address hidden> on 2018-06-01

delrhok.f: solved alloc-realloc-dealloc name mismatch in HauxdenL

delrhog.f: problems in rdiag when degenerate states (diag_descinit problems).
Added call diag_set_serial() to perform this "small" diagonalization in serial (as delrhok)

dhinit.f: deleted extra re_allocation of variable Daux

linresscf.f: changed index output in the final dynmat representation xyz,beta,xyz,alpa (according to the new dynmat dymensions)

dvnloc.f: added new strategy and index transformation to decrease the size of d2Vi which for large systems exceeds the available RAM.
Deleted the unused variables Di and Vi (probably they came from nlefsm copy...)

ddsmat.f: corrected bug cleaning the 'index' variable

Src/Makefile: changed the VPATH variable
Added diag_option dependence in delrhog

cellXC.F90: solved bug in subroutine getGradDens in myD dimensions
LiBXC GGA-LINRES is working!

new_matel.f: NRTAB=128 as it was in previous versions (changes in some parts in the code)

version.info: update