View Git repositories
branches with status:
Name Status Last Modified Last Commit
lp:~albertog/siesta/4.1-wfs 1 Development 2019-06-17 08:37:13 UTC 2019-06-17
1112. Pass wf-blocksize explicitly to 'writ...

Author: Alberto Garcia
Revision Date: 2019-06-17 08:37:13 UTC

Pass wf-blocksize explicitly to 'writew'

In order to abstract its functionality, the effective wave-function
blocksize (used in the Scalapack block-cyclic distribution) is passed
explicitly to 'writew'.

lp:~albertog/siesta/trunk-elsi-dm 1 Development 2019-06-09 17:46:59 UTC 2019-06-09
700. Add extra ELSI parameters to fdf inte...

Author: Alberto Garcia
Revision Date: 2019-06-09 17:46:59 UTC

Add extra ELSI parameters to fdf interface

* New fdf keywords for:
  -- Ill-conditioning checks
  -- PEXSI:
         number of poles
  number of mu-points to be treated in parallel
  inertia-tolerance

* Some interface function calls have been updated. At least ELSI v2.2.0
  is needed.

lp:~albertog/siesta/trunk-thtr 1 Development 2019-05-29 12:23:10 UTC 2019-05-29
766. Fix order of slots in Ri in rmatrix

Author: Alberto Garcia
Revision Date: 2019-05-29 12:23:10 UTC

Fix order of slots in Ri in rmatrix

lp:~albertog/siesta/ag-bsc-matel 1 Development 2019-04-23 06:56:17 UTC 2019-04-23
773. More documentation

Author: Alberto Garcia
Revision Date: 2019-04-23 06:56:17 UTC

More documentation

lp:~albertog/siesta/psml-fdf 1 Development 2019-03-14 08:11:53 UTC 2019-03-14
609. Change names of serialization-related...

Author: Alberto Garcia
Revision Date: 2019-03-14 08:11:53 UTC

Change names of serialization-related routines to start with fdf_

lp:~albertog/siesta/trunk-vnl 1 Development 2019-03-13 21:50:32 UTC 2019-03-13
766. Use xijo (assuming force-aux-cell) T...

Author: Alberto Garcia
Revision Date: 2019-03-13 21:50:32 UTC

Use xijo (assuming force-aux-cell)

This fixes a bug, and gives the same results as the previous version.
Still to be optimized further.

lp:~albertog/siesta/trunk-wfs 1 Development 2019-02-27 15:50:26 UTC 2019-02-27
764. Keep backwards compatibility in COOP/...

Author: Alberto Garcia
Revision Date: 2019-02-27 15:49:30 UTC

Keep backwards compatibility in COOP/COHP/DOS curves

lp:~albertog/siesta/ag-spin-texture 1 Development 2019-02-25 10:11:23 UTC 2019-02-25
748. Reduce bloat in spin_texture Remove ...

Author: Alberto Garcia
Revision Date: 2019-02-21 19:59:26 UTC

Reduce bloat in spin_texture

Remove unneeded large array, and consolidate loops

lp:libgridxc bug 1 Development 2019-02-13 11:32:49 UTC 2019-02-13
47. Add optional argument to cellxc to ke...

Author: Alberto Garcia
Revision Date: 2019-02-13 11:32:49 UTC

Add optional argument to cellxc to keep the input distribution

The internal load-balancer in cellxc can be deactivated by
setting 'keep_input_distribution' to .true. on input.
This is useful if a client program has already determined
an optimal distribution.

lp:~albertog/libgridxc/raw-mpi 1 Development 2018-12-05 16:06:01 UTC 2018-12-05
46. Remove home-made MPI interfaces

Author: Alberto Garcia
Revision Date: 2018-12-05 16:05:38 UTC

Remove home-made MPI interfaces

lp:~albertog/siesta/psml-xc 1 Development 2018-11-03 23:36:37 UTC 2018-11-03
604. Fuller support for xc handles and str...

Author: Alberto Garcia
Revision Date: 2018-11-03 23:36:37 UTC

Fuller support for xc handles and streamlined logic

Second step in the conversion, including Util.

XC mode is still "strict": based on pseudopotential information.
More options will be given later.

lp:~albertog/libgridxc/no-globals (Linked to a blueprint) 1 Development 2018-11-01 22:46:58 UTC 2018-11-01
36. Update some test programs for xc_hand...

Author: Alberto Garcia
Revision Date: 2018-11-01 22:46:58 UTC

Update some test programs for xc_handle idiom

lp:~albertog/siesta/siesta-max 1 Development 2018-10-22 21:30:28 UTC 2018-10-22
601. Wrap MPI check on number of procs for...

Author: Alberto Garcia
Revision Date: 2018-10-10 13:52:33 UTC

Wrap MPI check on number of procs for ELSI solver

lp:~albertog/siesta/ag-linres 1 Development 2018-06-29 13:50:14 UTC 2018-06-29
658. Merge rev 658 from linres-parallel: m...

Author: Alberto Garcia
Revision Date: 2018-06-29 13:50:14 UTC

Merge rev 658 from linres-parallel: more documentation

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

lp:~albertog/siesta/trunk-edens 1 Development 2018-06-19 08:26:43 UTC 2018-06-19
704. Use ebs_density internal routine in d...

Author: Alberto Garcia
Revision Date: 2018-06-19 08:26:43 UTC

Use ebs_density internal routine in dhscf

lp:~albertog/siesta/elsi-integration 1 Development 2018-02-09 11:43:54 UTC 2018-02-09
664. Implement a first version of broadeni...

Author: Alberto Garcia
Revision Date: 2018-02-09 11:43:54 UTC

Implement a first version of broadening

Use the ELSI customization options to request FERMI broadening.
I am not sure about the units or the exact meaning of the 'width'.

How do we get the electronic entropy from ELSI?

(+ remove the check of summing the energy over spins -- it is not
needed)

lp:~albertog/siesta/trunk-elsi 0 Experimental 2017-10-27 13:51:38 UTC 2017-10-27
624. Update to Oct 22, 2017 gitlab version...

Author: Alberto Garcia
Revision Date: 2017-10-27 13:51:38 UTC

Update to Oct 22, 2017 gitlab version

- Update calls to customization routines
- Update library list in link statement

lp:~albertog/siesta/trunk-nossi-mg 1 Development 2017-10-08 07:56:05 UTC 2017-10-08
597. Merge multigrid solver from NOSSI pro...

Author: Olivier Coulaud
Revision Date: 2017-01-19 13:18:14 UTC

Merge multigrid solver from NOSSI project

As part of the NOSSI project, a multigrid solver appropriate
for finite systems was implemented using the Hypre library by
Olivier Coulaud of INRIA-Bordeaux.

This version needs to run in parallel. No wrapping of the
functionality is in place yet to make it optional.

added:
  Docs/MultigridSolver.pdf
  Src/nossi_harmonic.F90
  Src/nossi_mg_hypre.F90
  Tests/h2o_mg_hypre/
  Tests/h2o_mg_hypre/h2o_hypre3D.fdf
  Tests/h2o_mg_hypre/h2o_hyprePer.fdf
modified:
  Src/Makefile
  Src/dhscf.F
  Src/meshsubs.F
  Src/moremeshsubs.F
  Src/read_options.F90
  Src/siesta_init.F
  version.info

lp:~albertog/xmlf90/noglobals 1 Development 2017-02-15 15:45:28 UTC 2017-02-15
20. Actually commit new 'pseudo' example...

Author: Alberto Garcia
Revision Date: 2017-02-15 15:45:28 UTC

Actually commit new 'pseudo' example...

lp:~albertog/libpspio/trunk 0 Experimental 2015-10-29 13:49:48 UTC 2015-10-29
447. Fixed compilation with jb_splines.

Author: Micael Oliveira
Revision Date: 2015-09-18 10:58:54 UTC

Fixed compilation with jb_splines.

120 of 20 results