You can browse the source code for the development focus branch or get a copy of the branch using the command:
bzr branch lp:siesta

There are download files available for Siesta.

Siesta has 4 active reviews.

Siesta has 70 active branches owned by 16 people and 7 teams. There were 50 commits by 7 people in the last month.

Bazaar branches

Name Status Last Modified Last Commit
lp:siesta
Series: trunk
bug 1 Development 2019-08-23 07:02:20 UTC 9 hours ago
776. Merged r1103

Author: Nick Papior
Revision Date: 2019-08-23 07:02:20 UTC

Merged r1103

lp:siesta/4.1
Series: 4.1
bug 1 Development 2019-08-23 07:01:29 UTC 9 hours ago
1103. Ensured check for TSDE file is reset ...

Author: Nick Papior
Revision Date: 2019-08-23 07:01:29 UTC

Ensured check for TSDE file is reset if not explicitly requested in DM-init

lp:siesta/4.0
Series: 4.0
bug 2 Mature 2019-07-29 08:48:49 UTC 2019-07-29
596. Fixed cell transpose for socket commu...

Author: Nick Papior
Revision Date: 2019-07-29 08:48:37 UTC

Fixed cell transpose for socket communication, fixes lp:1835196

I have tested this using the ASE socket implementation and there
it is also necessary to do the transpose.

lp:siesta/psml-support
Series: psml-support
bug(Linked to a blueprint) 1 Development 2019-02-13 14:32:13 UTC 2019-02-13
604. Sync to trunk-760: Fix allocation for...

Author: Alberto Garcia
Revision Date: 2019-02-13 14:32:13 UTC

Sync to trunk-760: Fix allocation for Bessel orbitals

lp:~jose-soler/siesta/unfolding (Linked to a blueprint)(Has a merge proposal) 1 Development 2019-08-10 18:21:38 UTC 2019-08-10
764. Fermi level is now read from '.EIG' f...

Author: sara
Revision Date: 2019-08-10 18:21:38 UTC

Fermi level is now read from '.EIG' file.

modified:
  Util/Unfolding/Src/unfold.F90

lp:~gonzooznog/siesta/spglib-inclusion 1 Development 2019-07-31 14:21:55 UTC 2019-07-31
493. more typo

Author: matthieu verstraete
Revision Date: 2019-07-31 14:21:55 UTC

more typo

lp:~dikan.va/siesta/trunk-thtr 1 Development 2019-07-29 20:26:31 UTC 2019-07-29
772. overlap gradient computed on BASE step

Author: Vladimir Dikan
Revision Date: 2019-07-29 20:26:31 UTC

overlap gradient computed on BASE step

lp:~albertog/siesta/ag-bsc-bottlenecks 1 Development 2019-07-24 13:59:37 UTC 2019-07-24
779. Sync to end of phase-1 of Rogeli Grim...

Author: Alberto Garcia
Revision Date: 2019-07-24 13:58:54 UTC

Sync to end of phase-1 of Rogeli Grima's work

(Note that no changes in Rogeli's compilation and test setups or in the external
libraries have been brought in)

The main addition is a new scheduling of communications (in 'moremeshsubs').

Here are some of the one-line logs, up to commit 9151c39b0:

A new communication scheduling.
Fastest construction. We use asynchronous communications to avoid deadlocks
Added timing to InitMesh
Modified some extrae calls
Added timer to matel_init
Added timer to final_H_f_stress
Added timer to domainDecom
Added timer to dnaefs
Removed timer write from compute_dm
Added extrae for benchmarking purposes
Init x0 to 0.0 in neighb, to prevent errors

lp:~jonaslb/siesta/FCxyz 1 Development 2019-07-22 10:35:17 UTC 2019-07-22
767. MD.FCdispl.x|y|z can now be specified...

Author: Jonas L. B.
Revision Date: 2019-07-19 16:53:41 UTC

MD.FCdispl.x|y|z can now be specified for each axis.

The general MD.FCdispl still works for all axes, but in case an
axis-specific value is given, it takes preference.

lp:~albertog/siesta/ag-bsc-matel 1 Development 2019-07-16 15:37:55 UTC 2019-07-16
781. Cosmetic changes. Add TO_DO.txt file ...

Author: Alberto Garcia
Revision Date: 2019-07-16 15:37:55 UTC

Cosmetic changes. Add TO_DO.txt file

Add to-do file to keep track of things to be done.

lp:~dikan.va/siesta/merge_thtr_edens 1 Development 2019-07-16 15:28:08 UTC 2019-07-16
742. cleanup after merge of `virtual_step_...

Author: Vladimir Dikan
Revision Date: 2019-07-16 15:28:08 UTC

cleanup after merge of `virtual_step_md`

lp:~javier-junquera/siesta/lowdin 1 Development 2019-07-14 22:26:05 UTC 2019-07-14
741. Chemical potential depends on the spi...

Author: Javier Junquera
Revision Date: 2019-07-14 22:26:05 UTC

Chemical potential depends on the spin component

lp:~dikan.va/siesta/virtual_step_md 1 Development 2019-07-09 18:35:31 UTC 2019-07-09
775. Migrated electronic density computati...

Author: Vladimir Dikan
Revision Date: 2019-07-09 18:35:31 UTC

Migrated electronic density computation from old `edens` branch.

Need to edit options related to virtual_md_step/thermal_transport,
as well as bugs listed in the mail from 08.07

lp:~nickpapior/siesta/trunk-bulk-bias 0 Experimental 2019-06-30 19:36:54 UTC 2019-06-30
717. Merged 765-766

Author: Nick Papior
Revision Date: 2019-06-30 19:36:54 UTC

Merged 765-766

lp:~albertog/siesta/elsi-soc 1 Development 2019-06-28 16:54:22 UTC 2019-06-28
702. Use simpler driver routine. Set spin-...

Author: Alberto Garcia
Revision Date: 2019-06-28 16:53:48 UTC

Use simpler driver routine. Set spin-degeneracy

lp:~kovalp/siesta/4.0 1 Development 2019-06-28 13:14:07 UTC 2019-06-28
596. changes

Author: Petr Koval
Revision Date: 2019-06-28 13:12:48 UTC

changes

lp:~kovalp/siesta/4.1 1 Development 2019-06-28 12:57:14 UTC 2019-06-28
1084. small fixes for windows

Author: Petr Koval
Revision Date: 2019-06-28 12:51:45 UTC

small fixes for windows

lp:~albertog/siesta/4.1-fix-sc 1 Development 2019-06-21 10:53:27 UTC 2019-06-21
1075. Fix supercell determination algorithm...

Author: Alberto Garcia
Revision Date: 2019-06-21 10:53:10 UTC

Fix supercell determination algorithm. Problems remain

lp:~aakhtar/siesta/siesta (Has a merge proposal) 1 Development 2019-06-11 12:29:36 UTC 2019-06-11
487. Test Folder and Script added

Author: <email address hidden>
Revision Date: 2019-06-11 12:29:36 UTC

Test Folder and Script added

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:~javier-junquera/siesta/lda+u+so (Linked to a blueprint) 1 Development 2019-05-27 08:59:39 UTC 2019-05-27
764. Merge 4.1:1069-71: lua MPI 0, docs, ...

Author: Alberto Garcia
Revision Date: 2019-03-18 10:23:09 UTC

Merge 4.1:1069-71: lua MPI 0, docs, matel pool lp:1815735

lp:~pablolopez/siesta/propagators-mature 2 Mature 2019-04-11 21:23:50 UTC 2019-04-11
767. Adding branch-changes.

Author: Pablo Lopez
Revision Date: 2019-04-11 21:23:50 UTC

Adding branch-changes.

lp:~javier-junquera/siesta/lowdin-psml 1 Development 2019-04-05 12:13:52 UTC 2019-04-05
611. Remove Wannier90 directory

Author: Javier Junquera
Revision Date: 2019-04-05 12:13:52 UTC

Remove Wannier90 directory

lp:~pouillon/siesta/lowdin-psml 1 Development 2019-04-05 10:53:16 UTC 2019-04-05
605. Cherrypicked Wannier90-related change...

Author: Yann Pouillon
Revision Date: 2019-04-05 10:53:16 UTC

Cherrypicked Wannier90-related changes from javier-junquera/lowdin/703

lp:~pouillon/siesta/lowdin-doc 1 Development 2019-04-03 21:34:18 UTC 2019-04-03
700. Fixed the documentation of m_w90_in_s...

Author: Yann Pouillon
Revision Date: 2019-04-03 21:34:18 UTC

Fixed the documentation of m_w90_in_siesta

lp:~aakhtar/siesta/spglib-inclusion 1 Development 2019-04-03 09:25:54 UTC 2019-04-03
486. Space group Test folder added

Author: <email address hidden>
Revision Date: 2019-04-03 09:21:49 UTC

Space group Test folder added

lp:~pablolopez/siesta/psolver 1 Development 2019-04-01 13:49:26 UTC 2019-04-01
766. Rise of warnings when using slab and ...

Author: Pablo Lopez
Revision Date: 2019-04-01 13:49:26 UTC

Rise of warnings when using slab and molecule shapes.

lp:~pablolopez/siesta/propagators 1 Development 2019-03-29 12:35:52 UTC 2019-03-29
763. Avoiding electron density writing in ...

Author: Pablo Lopez
Revision Date: 2019-03-29 12:35:52 UTC

Avoiding electron density writing in n+1 step.

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:~nickpapior/siesta/low-D-stress (Has a merge proposal) 1 Development 2019-02-28 08:27:51 UTC 2019-02-28
1072. Finalized calculation of low-D stress...

Author: Nick Papior
Revision Date: 2019-02-28 08:27:51 UTC

Finalized calculation of low-D stress tensors using the shaper routine

We now calculate the vacuum regions based on the shaper routine.
This results in very similar output for skewed lattice vectors.
See e.g. the two new tests.

  graphene_perp
  graphene_non_perp

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:~garsua/siesta/trunk-elsi-dm (Has a merge proposal) 1 Development 2019-01-16 10:53:11 UTC 2019-01-16
696. Cosmetic changes on m_elsi_interface....

Author: Victor GS
Revision Date: 2019-01-16 10:44:43 UTC

Cosmetic changes on m_elsi_interface.F90
- Removed "use fdf, only: fdf_get" from elsi_real_solver and elsi_complex_solver subroutines
- Unindented lines from 401 to 510 (in elsi_real_solver) and from 1351 to 1460 (in elsi_complex_solver)

lp:~linres/siesta/linres-parallel 1 Development 2018-12-19 16:42:54 UTC 2018-12-19
666. Modularized delrhog in the same way a...

Author: Sergio Illera Developer
Revision Date: 2018-12-19 16:42:54 UTC

Modularized delrhog in the same way as delrhok: delrhog and delEg for a standard scf call and for the last call.

m_delrhog and m_delrhok some variable cleaning...

delrho: addapted the callings for the new subrotuines.

m_delrhok: solved bugs in some alloc-dealloc name mismatches

Makefile: dependencies updated.

delrhokp: the funcion dstepf (fermi function derivative) is not accesible from public scheme.
Changed.

Updated the LR_tests and its solutions.

lp:~dikan.va/siesta/edens 1 Development 2018-12-12 15:22:53 UTC 2018-12-12
735. Skip virtual step for K components ou...

Author: Vladimir Dikan
Revision Date: 2018-12-12 15:22:53 UTC

Skip virtual step for K components output

lp:~rraffiu/siesta/tddft03 1 Development 2018-12-05 06:56:37 UTC 2018-12-05
732. Added different options for matrix in...

Author: Rafi Ullah
Revision Date: 2018-12-05 06:51:48 UTC

Added different options for matrix inversion in Crank-Nicolson algorithm

modified:

  Src/cranknic_evolg.F90
  Src/m_inversemm.F90
  Src/read_options.F90
  Src/siesta_options.F90

lp:~roberto-robles/siesta/trunk_spin-texture_merge (Has a merge proposal) 1 Development 2018-11-15 15:19:53 UTC 2018-11-15
747. Calculation of spin texture added.

Author: Roberto Robles
Revision Date: 2018-11-15 15:19:53 UTC

Calculation of spin texture added.

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:~javier-junquera/siesta/netcharge-plane 1 Development 2018-10-24 11:40:26 UTC 2018-10-24
594. Siesta-PSML-R1 release

Author: Alberto Garcia
Revision Date: 2018-06-28 14:02:59 UTC

Siesta-PSML-R1 release

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:~dikan.va/siesta/hartree 1 Development 2018-09-13 16:20:06 UTC 2018-09-13
713. corrected execution. added fdf switch

Author: Vladimir Dikan
Revision Date: 2018-09-13 16:20:06 UTC

corrected execution. added fdf switch

lp:~dikan.va/siesta/ford 1 Development 2018-07-12 11:21:36 UTC 2018-07-12
682. switched to official ford 6.0.0

Author: Vladimir Dikan
Revision Date: 2018-07-12 11:21:36 UTC

switched to official ford 6.0.0

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:~pablolopez/siesta/md_formats 1 Development 2018-05-14 09:38:16 UTC 2018-05-14
695. Merged r905-909, small fixes here and...

Author: Nick Papior
Revision Date: 2018-05-07 07:42:09 UTC

Merged r905-909, small fixes here and there, improved print-out for ts

lp:~nickpapior/siesta/4.1-mulliken 1 Development 2018-04-17 13:35:57 UTC 2018-04-17
646. Fixed error in calculation of S in NC...

Author: Nick Papior
Revision Date: 2018-04-17 13:35:57 UTC

Fixed error in calculation of S in NC calculations

lp:~jose-soler/siesta/newdynamics 1 Development 2018-03-01 10:59:32 UTC 2018-03-01
469. Merged with trunk-661

Author: Jose M Soler
Revision Date: 2018-03-01 10:59:32 UTC

Merged with trunk-661

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:~pouillon/siesta/trunk 1 Development 2018-01-18 15:53:49 UTC 2018-01-18
662. Wrote documentation for the YAML outp...

Author: Yann Pouillon
Revision Date: 2018-01-18 15:53:49 UTC

Wrote documentation for the YAML output generation and analysis

lp:~kovalp/siesta/trunk_psml_sg_cc 1 Development 2018-01-13 03:29:57 UTC 2018-01-13
630. README about decommissioning this branch

Author: Petr Koval
Revision Date: 2018-01-13 03:29:57 UTC

README about decommissioning this branch

lp:~kovalp/siesta/psml-support-sg_cc 1 Development 2018-01-13 03:25:51 UTC 2018-01-13
572. small readme about split gauss correl...

Author: Petr Koval
Revision Date: 2018-01-13 03:25:51 UTC

small readme about split gauss correlation-consistent basis set and installation dependencies

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:~jose-soler/siesta/symmetry 1 Development 2017-10-13 15:03:34 UTC 2017-10-13
475. Merged with trunk 503 removed: Pse...

Author: Jose M Soler
Revision Date: 2016-05-26 14:32:49 UTC

Merged with trunk 503

removed:
  Pseudo/atom/
  Pseudo/atom/000_README.first
  Pseudo/atom/BHS/
  Pseudo/atom/BHS/BHSINP
  Pseudo/atom/BHS/README
  Pseudo/atom/BHS/bhspot.f
  Pseudo/atom/BHS/makefile
  Pseudo/atom/BHS/na.bhsinp
  Pseudo/atom/BHS/ni.bhsinp
  Pseudo/atom/BHS/o.bhsinp
  Pseudo/atom/BHS/pb.bhsinp
  Pseudo/atom/BHS/plot.h
  Pseudo/atom/BHS/potran.f
  Pseudo/atom/BHS/set2.h
  Pseudo/atom/BHS/shirley_bhsfit.for
  Pseudo/atom/BHS/symbols.f
  Pseudo/atom/BHS/symbols.h
  Pseudo/atom/COPYRIGHT
  Pseudo/atom/ChangeLog
  Pseudo/atom/Contrib/
  Pseudo/atom/Contrib/atom_table.txt
  Pseudo/atom/Contrib/parcor.for
  Pseudo/atom/Contrib/pseu.for
  Pseudo/atom/Contrib/pseudv.for
  Pseudo/atom/Docs/
  Pseudo/atom/Docs/README
  Pseudo/atom/Docs/atom.tex
  Pseudo/atom/Docs/jlm-nt.notes
  Pseudo/atom/Makefile
  Pseudo/atom/README
  Pseudo/atom/Samples/
  Pseudo/atom/Samples/README
  Pseudo/atom/Samples/atom.sm
  Pseudo/atom/Samples/logder.sm
  Pseudo/atom/Samples/plotps.sh
  Pseudo/atom/Samples/plotps.sm
  Pseudo/atom/Samples/plotx11.sh
  Pseudo/atom/Samples/viewps.sh
  Pseudo/atom/SiestaXC/
  Pseudo/atom/SiestaXC/.dummy_directory
  Pseudo/atom/TODOXML
  Pseudo/atom/Tutorial/
  Pseudo/atom/Tutorial/000_README_FIRST
  Pseudo/atom/Tutorial/All_electron/
  Pseudo/atom/Tutorial/All_electron/Example.guide
  Pseudo/atom/Tutorial/All_electron/ba.gs.inp
  Pseudo/atom/Tutorial/All_electron/f_hund.ae.inp
  Pseudo/atom/Tutorial/All_electron/fe_spin.ae.inp
  Pseudo/atom/Tutorial/All_electron/n_hund.ae.inp
  Pseudo/atom/Tutorial/All_electron/pb_relat.ae.inp
  Pseudo/atom/Tutorial/All_electron/si+3.ae.inp
  Pseudo/atom/Tutorial/All_electron/si.ae.inp
  Pseudo/atom/Tutorial/All_electron/si.series.ae.inp
  Pseudo/atom/Tutorial/COPYRIGHT
  Pseudo/atom/Tutorial/PS_Generation/
  Pseudo/atom/Tutorial/PS_Generation/Additional.Notes
  Pseudo/atom/Tutorial/PS_Generation/Ar/
  Pseudo/atom/Tutorial/PS_Generation/Ar/Ar.test.inp
  Pseudo/atom/Tutorial/PS_Generation/Ar/Ar.vdw.inp
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  Pseudo/atom/change_valence.f
  Pseudo/atom/charge.h
  Pseudo/atom/chg_mism.f
  Pseudo/atom/coeffs.h
  Pseudo/atom/compat.h
  Pseudo/atom/compat_params.f
  Pseudo/atom/coreq.f
  Pseudo/atom/denplot.f
  Pseudo/atom/difnrl.f
  Pseudo/atom/difrel.f
  Pseudo/atom/divdif.f
  Pseudo/atom/dmixp.f
  Pseudo/atom/dsolv1.f
  Pseudo/atom/dsolv2.f
  Pseudo/atom/dummy_pseudoXML.f
  Pseudo/atom/elecpot.h
  Pseudo/atom/energy.h
  Pseudo/atom/etotal.f
  Pseudo/atom/exchng.f
  Pseudo/atom/excorr.f
  Pseudo/atom/ext.f
  Pseudo/atom/force_underflow.f
  Pseudo/atom/gauleg.f
  Pseudo/atom/genrhs.f
  Pseudo/atom/get_unit.f
  Pseudo/atom/header.f
  Pseudo/atom/hsc.f
  Pseudo/atom/input.f
  Pseudo/atom/input.h
  Pseudo/atom/ion.h
  Pseudo/atom/ker.f
  Pseudo/atom/linear.h
  Pseudo/atom/logder.f
  Pseudo/atom/nonlinear.h
  Pseudo/atom/nucl_z.f
  Pseudo/atom/nv0pp.f
  Pseudo/atom/ode.f
  Pseudo/atom/ode_blk.h
  Pseudo/atom/ode_path.h
  Pseudo/atom/orban.f
  Pseudo/atom/orbital.h
  Pseudo/atom/param.h
  Pseudo/atom/pbexc.f
  Pseudo/atom/pcc_exp.f
  Pseudo/atom/plot.h
  Pseudo/atom/potran.f
  Pseudo/atom/potrv.f
  Pseudo/atom/potrvs.f
  Pseudo/atom/potrw.f
  Pseudo/atom/prdiff.f
  Pseudo/atom/prversion.f
  Pseudo/atom/pseudo.f
  Pseudo/atom/pseudoXML.f
  Pseudo/atom/pseudowave.h
  Pseudo/atom/pswf_store.f
  Pseudo/atom/pw92c.f
  Pseudo/atom/pxf.F90
  Pseudo/atom/radial.h
  Pseudo/atom/recipes.f
  Pseudo/atom/root.f
  Pseudo/atom/scilib.f
  Pseudo/atom/set2.h
  Pseudo/atom/splift.f
  Pseudo/atom/spliq.f
  Pseudo/atom/string.f
  Pseudo/atom/symbols.f
  Pseudo/atom/tm2.f
  Pseudo/atom/tm2_blk.h
  Pseudo/atom/v0pp.f
  Pseudo/atom/velect.f
  Pseudo/atom/version.h
  Pseudo/atom/vionic.f
  Pseudo/atom/wf.f
  Pseudo/atom/wrapup.f
  Pseudo/atom/wtrans.f
  SIESTA_LICENCE
  Src/SIESTA_LICENSE
  Src/Sys/finisterrae.make.moved
  Src/m_recipes.f
  Src/matel.f
  Src/phonon.F
  Src/ran3.f
  Src/xmlparser/compare_m.f90
  Src/xmlparser/corresponding_node.f90
  Src/xmlparser/f2kcli.F90
  Src/xmlparser/f2kcli_manual.txt
  Src/xmlparser/flib_dom.f90
  Src/xmlparser/list_nodes.f90
  Src/xmlparser/m_compare_tol.f90
  Src/xmlparser/m_dom_attribute.f90
  Src/xmlparser/m_dom_debug.f90
  Src/xmlparser/m_dom_document.f90
  Src/xmlparser/m_dom_element.f90
  Src/xmlparser/m_dom_error.f90
  Src/xmlparser/m_dom_namednodemap.f90
  Src/xmlparser/m_dom_node.f90
  Src/xmlparser/m_dom_nodelist.f90
  Src/xmlparser/m_dom_parse.f90
  Src/xmlparser/m_dom_types.f90
  Src/xmlparser/m_dom_utils.f90
  Src/xmlparser/m_getopts.f90
  Src/xmlparser/m_strings.f90
  Src/xmlparser/string_utilities.f90
  Src/xmlparser/test.f90
  Src/xmlparser/xml-pseudopotential.f
  Tests/Reference-xml/
  Tests/Reference-xml/OMM_h2o.xml
  Tests/Reference-xml/OMM_si.xml
  Tests/Reference-xml/ag.xml
  Tests/Reference-xml/ar2_vdw.xml
  Tests/Reference-xml/batio3.xml
  Tests/Reference-xml/benzene.xml
  Tests/Reference-xml/bessel.xml
  Tests/Reference-xml/born.xml
  Tests/Reference-xml/born_spin.xml
  Tests/Reference-xml/ch4.xml
  Tests/Reference-xml/constant_volume.xml
  Tests/Reference-xml/fe.xml
  Tests/Reference-xml/fe_broyden.xml
  Tests/Reference-xml/fe_clust_noncollinear.xml
  Tests/Reference-xml/fire_benzene.xml
  Tests/Reference-xml/floating.xml
  Tests/Reference-xml/force_2.xml
  Tests/Reference-xml/graphite_c6.xml
  Tests/Reference-xml/graphite_vdw_df.xml
  Tests/Reference-xml/h2o.xml
  Tests/Reference-xml/h2oZ.xml
  Tests/Reference-xml/h2o_basis.xml
  Tests/Reference-xml/h2o_dos.xml
  Tests/Reference-xml/h2o_findp_bug.xml
  Tests/Reference-xml/h2o_op_broyden.xml
  Tests/Reference-xml/h2o_orderN.xml
  Tests/Reference-xml/h2o_radialgrid.xml
  Tests/Reference-xml/h2o_reparam.xml
  Tests/Reference-xml/h_chain.xml
  Tests/Reference-xml/md_anneal.xml
  Tests/Reference-xml/md_nose.xml
  Tests/Reference-xml/md_npr.xml
  Tests/Reference-xml/md_pr.xml
  Tests/Reference-xml/md_verlet.xml
  Tests/Reference-xml/mgco3.xml
  Tests/Reference-xml/n_chain.xml
  Tests/Reference-xml/oxyn.xml
  Tests/Reference-xml/pb_filter_cutoff.xml
  Tests/Reference-xml/pb_filter_tol.xml
  Tests/Reference-xml/si-optical.xml
  Tests/Reference-xml/si2x1h-dipole.xml
  Tests/Reference-xml/si2x1h.xml
  Tests/Reference-xml/si64.xml
  Tests/Reference-xml/si64_coop.xml
  Tests/Reference-xml/si_bandpoints.xml
  Tests/Reference-xml/si_coop.xml
  Tests/Reference-xml/si_fatbands.xml
  Tests/Reference-xml/si_pdos_kgrid.xml
  Tests/Reference-xml/sic-slab.xml
  Tests/Reference-xml/sih.xml
  Tests/Reference-xml/sih_fire.xml
  Tests/Reference-xml/sih_op_broyden.xml
  Tests/Reference-xml/var_cell.xml
  Tests/Reference-xml/zmatrix.xml
  Tests/Reference/partial.out
  Util/Grid/libfft.f
  Util/Macroave/Src/recipes.f
  Util/STM/ol-stm/Src/splint.f
  Util/VCA/fdf/
  Util/Vibra/Src/fdf/
  Util/test-xml/
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  Util/test-xml/compare_m.f90
  Util/test-xml/corresponding_node.f90
  Util/test-xml/flib_dom.f90
  Util/test-xml/fox-makefile
  Util/test-xml/m_compare_tol.f90
  Util/test-xml/m_dom_attribute.f90
  Util/test-xml/m_dom_debug.f90
  Util/test-xml/m_dom_document.f90
  Util/test-xml/m_dom_element.f90
  Util/test-xml/m_dom_error.f90
  Util/test-xml/m_dom_namednodemap.f90
  Util/test-xml/m_dom_node.f90
  Util/test-xml/m_dom_nodelist.f90
  Util/test-xml/m_dom_parse.f90
  Util/test-xml/m_dom_types.f90
  Util/test-xml/m_dom_utils.FoX.f90
  Util/test-xml/m_dom_utils.f90
  Util/test-xml/m_strings.f90
  Util/test-xml/makefile
  Util/test-xml/string_utilities.f90
  Util/test-xml/test.f90
added:
  AUTHORS
  COPYING
  Docs/Contributors.txt
  Docs/branch-changes/
  Docs/branch-changes/4.0.CHANGES
  Docs/branch-changes/radfunc.CHANGES
  Docs/branch-changes/wannier-merge.CHANGES
  Docs/branch-changes/wannier.CHANGES
  Docs/older-release-notes/
  Docs/older-release-notes/release.notes_3.0
  Docs/older-release-notes/release.notes_3.1
  Docs/older-release-notes/release.notes_3.2
  Docs/older-release-notes/release_notes.4.0-beta
  NOTICE.txt
  Pseudo/README.ATOM
  Src/Libs/LICENSE
  Src/Libs/svd_omm_lapack.f
  Src/MPI/LICENSE
  Src/amn.F90
  Src/broadcast_projections.F
  Src/compute_pw_matrix.F90
  Src/delk.F
  Src/diagonalizeHk.F90
  Src/errorf.f
  Src/fdf/LICENSE
  Src/fsiesta_sockets.F90
  Src/fsockets.f90
  Src/get_kpoints_scale.f90
  Src/iosockets.F90
  Src/ldau.F
  Src/ldau_specs.f
  Src/m_cite.F90
  Src/m_digest_nnkp.F90
  Src/m_fft_gpfa.F
  Src/m_noccbands.f
  Src/m_orderbands.F
  Src/m_overkkneig.F90
  Src/m_planewavematrix.F90
  Src/m_planewavematrixvar.F90
  Src/m_target_stress.F
  Src/m_trialorbitalclass.f90
  Src/m_writedelk.F
  Src/matel_registry.F90
  Src/mmn.F90
  Src/new_matel.f
  Src/randomg.f90
  Src/read_options.F90
  Src/register_rfs.F90
  Src/reordpsi.F
  Src/siesta2wannier90.F90
  Src/sockets.c
  Src/write_inp_wannier.F90
  Tests/Reference/TranSiesta-TBTrans/ts_au_100/au_100.AVTRANS
  Tests/Reference/TranSiesta-TBTrans/ts_au_100/au_100.TEIG
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_0.25V/au_100.AVTRANS
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_0.25V/au_100.TEIG
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_repetition/au_100.AVTRANS
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_repetition/au_100.TEIG
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_repetition_0.25V/au_100.AVTRANS
  Tests/Reference/TranSiesta-TBTrans/ts_au_100_repetition_0.25V/au_100.TEIG
  Tests/TranSiesta-TBTrans/copy_to_reference.sh
  Tests/TranSiesta-TBTrans/run_tests.sh
  Tests/ipi-test/
  Tests/ipi-test/README
  Tests/ipi-test/h2o-init.pdb
  Tests/ipi-test/h2o-ipi.fdf
  Tests/ipi-test/h2o-ipi.xml
  Tests/si2x1h-quench/
  Tests/si2x1h-quench/makefile
  Tests/si2x1h-quench/si2x1h-quench.fdf
  Tests/si2x1h-quench/si2x1h-quench.pseudos
  Tests/wannier/
  Tests/wannier/makefile
  Tests/wannier/wannier.fdf
  Tests/wannier/wannier.nnkp
  Tests/wannier/wannier.pseudos
  Util/Gen-basis/local_die.F
  Util/Grid/cdf_laplacian.F90
  Util/Grid/fft3d.f
  Util/Grid/g2c_ng.f
  Util/Grid/local_die.f90
  Util/Grid/m_gridfunc.F90
  Util/Grid/m_struct.f90
  Util/Macroave/Src/local_die.f
  Util/STM/ol-stm/Src/handlers.f
  Util/SiestaSubroutine/SimpleTest/README
  Util/SiestaSubroutine/SimpleTest/socket.fdf
  Util/SiestaSubroutine/SimpleTest/sockets.sh
  Util/Sockets/
  Util/Sockets/Makefile
  Util/Sockets/README
  Util/Sockets/f2fmaster.f90
  Util/Sockets/f2fslave.f90
renamed:
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  Docs/CHANGES.charconf => Docs/branch-changes/CHANGES.charconf
  Docs/CHANGES.minim => Docs/branch-changes/CHANGES.minim
  Docs/Grid.CHANGES => Docs/branch-changes/Grid.CHANGES
  Docs/KNOWN.ISSUES.BSC-patch => Docs/branch-changes/KNOWN.ISSUES.BSC-patch
  Docs/Mixing.CHANGES => Docs/branch-changes/Mixing.CHANGES
  Docs/TS-npa.CHANGES => Docs/branch-changes/TS-npa.CHANGES
  Docs/TranSiestaUpdate.pdf => Docs/older-release-notes/TranSiestaUpdate.pdf
  Docs/atom-filt+qconf.CHANGES => Docs/branch-changes/atom-filt+qconf.CHANGES
  Docs/fdf.CHANGES => Docs/branch-changes/fdf.CHANGES
  Docs/gga.CHANGES => Docs/branch-changes/gga.CHANGES
  Docs/mixrho.CHANGES => Docs/branch-changes/mixrho.CHANGES
  Docs/rc-4.0.CHANGES => Docs/branch-changes/rc-4.0.CHANGES
  Docs/release.notes_0.11 => Docs/older-release-notes/release.notes_0.11
  Docs/release.notes_0.9 => Docs/older-release-notes/release.notes_0.9
  Docs/release.notes_1.1 => Docs/older-release-notes/release.notes_1.1
  Docs/release.notes_1.3 => Docs/older-release-notes/release.notes_1.3
  Docs/release.notes_2.0 => Docs/older-release-notes/release.notes_2.0
  Docs/timing.CHANGES => Docs/branch-changes/timing.CHANGES
  Src/flib_spline.f90 => Src/interpolation.f90
  Util/COPYRIGHT => Util/COPYING
  Util/SiestaSubroutine/SimpleTest/Src/simple_pipes_parallel.f90 => Util/SiestaSubroutine/SimpleTest/Src/simple_parallel.f90
  Util/Vibra/Src/vibrator.f => Util/Vibra/Src/vibra.f
modified:
  Docs/CHANGES
  Docs/siesta.tex
  Examples/README
  Examples/Vps/README
  README
  Src/Confs/arina-mpi.conf
  Src/Confs/arina-serial.conf
  Src/Confs/g95-cdf.conf
  Src/Confs/intel9mkl8-safe.conf
  Src/Confs/macosx-nag-cdf.conf
  Src/Confs/matterhorn-gm.conf
  Src/Confs/matterhorn-serial.conf
  Src/Confs/pegasus-mpi.conf
  Src/Fstack.T90
  Src/Include/constr.f
  Src/Libs/README
  Src/Libs/blas.f
  Src/Libs/makefile
  Src/MPI/Makefile
  Src/MPI/kind_explorer.f90
  Src/MPI/mpi.F
  Src/MPI/mpi_siesta.f90
  Src/MPI/mpif2sane.f90
  Src/MPI/timer_mpi.F90
  Src/Makefile
  Src/SiestaXC/atomxc.F90
  Src/SiestaXC/lib-arch.make
  Src/SiestaXC/lib-makefile
  Src/SiestaXC/makefile
  Src/SiestaXC/mesh1d.f90
  Src/SiestaXC/mpi-makefile
  Src/SiestaXC/siestaXC.files
  Src/SiestaXC/siestaxc.F90
  Src/SiestaXC/vdwxc.F90
  Src/SiestaXC/vv_vdwxc.F90
  Src/Sys/DOCUMENTED-TEMPLATE.make
  Src/Sys/arch.make.curie
  Src/Sys/arch.make.fermi
  Src/Sys/arch.make.hermit
  Src/Sys/arch.make.juqueen
  Src/Sys/arch.make.marenostrum
  Src/Sys/arch.make.supermuc
  Src/Sys/arina-mlib.make
  Src/Sys/atto-pgf95-openmpi.make
  Src/Sys/compaq-mpi.make
  Src/Sys/cscs-cray-mpi.make
  Src/Sys/cscs-cray.make
  Src/Sys/cscs-ibm-blanc.make
  Src/Sys/darwin.make
  Src/Sys/finisterrae.make
  Src/Sys/g95-macosx-netcdf.make
  Src/Sys/g95-nolibs.make
  Src/Sys/gfortran-macosx-netcdf.make
  Src/Sys/gfortran-netcdf.make
  Src/Sys/gfortran.make
  Src/Sys/hpcx.make
  Src/Sys/ibm-regatta-p4.make
  Src/Sys/ibmp3-mpi.make
  Src/Sys/ibmp3.make
  Src/Sys/icmab-snake-mpi.make
  Src/Sys/ifort-netcdf.make
  Src/Sys/intel-checks.make
  Src/Sys/intel-mkl.make
  Src/Sys/intel-nolibs.make
  Src/Sys/intel10-openmpi.make
  Src/Sys/intel11-openmpi.make
  Src/Sys/intel9-mkl8.make
  Src/Sys/itanium2-mpi.make
  Src/Sys/itanium2.make
  Src/Sys/macosx-gfortran64-atlas.make
  Src/Sys/macosx-nag-mpi.make
  Src/Sys/macosx-nag.make
  Src/Sys/macosx-openmpi.make
  Src/Sys/macosx-xlf.make
  Src/Sys/nano-intel-mpi-cdf.make
  Src/Sys/nano-intel-mpi.make
  Src/Sys/nano-intel-serial.make
  Src/Sys/nano-intel10-mvapich.make
  Src/Sys/nano-pgf95-serial.make
  Src/Sys/nolibs.make
  Src/Sys/pathscale-mpi.make
  Src/Sys/pathscale.make
  Src/Sys/pgf95-macosx32.make
  Src/Sys/pgf95-matterhorn-gm.make
  Src/Sys/pgf95-matterhorn-mpich.make
  Src/Sys/pgf95-matterhorn-serial.make
  Src/Sys/pgf95-pgimpi.make
  Src/alloc.F90
  Src/arch.make.in
  Src/arw.f
  Src/atm_transfer.f
  Src/atm_types.f
  Src/atmfuncs.f
  Src/atmparams.f
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  Src/atom_options.F90
  Src/atomlist.f
  Src/atomlwf.F
  Src/automatic_cell.f
  Src/bands.F
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  Src/basis_io.F
  Src/basis_specs.f
  Src/basis_types.f
  Src/bessph.f
  Src/bonds.f
  Src/born_charge.F
  Src/broadcast_basis.F
  Src/broyden_optim.F
  Src/bsc_cellxc.F
  Src/bsc_xcmod.F
  Src/bsd.f
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  Src/cdiag.F
  Src/cell_broyden_optim.F
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  Src/cellsubs.f
  Src/cellxc_mod.F
  Src/cgvc.F
  Src/cgvc_zmatrix.F
  Src/cgwf.F
  Src/chemical.f
  Src/chempot.F
  Src/chkdim.f
  Src/chkgmx.f
  Src/class_Fstack_Pair_Vectors.F90
  Src/class_Pair_Vectors.F90
  Src/class_Vector.F90
  Src/coceri.f
  Src/compute_dm.F
  Src/compute_energies.F90
  Src/compute_max_diff.F
  Src/compute_norm.F
  Src/compute_rhog.F
  Src/conjgr.f
  Src/conjgr_old.f
  Src/constr.f
  Src/coor.F
  Src/coxmol.f
  Src/cpu_time.f90
  Src/cross.f
  Src/debugmpi.F
  Src/denmat.F
  Src/denmatlomem.F
  Src/densematrix.f
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  Src/diagsprl.F
  Src/die.F
  Src/digcel.f
  Src/dipole.F
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  Src/dnaefs.f
  Src/domain_decom.F
  Src/doping_uniform.F
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  Src/fermid.F
  Src/fft.F
  Src/fft1d.F
  Src/files.f
  Src/final_H_f_stress.F
  Src/find_kgrid.F
  Src/fire_optim.F
  Src/fixed.F
  Src/forhar.F
  Src/fsiesta_mpi.F90
  Src/fsiesta_pipes.F90
  Src/general.f
  Src/get_target_stress.f
  Src/globalise.F
  Src/gradient.F
  Src/gradientlomem.F
  Src/grdsam.F
  Src/hsparse.F
  Src/ibm.f
  Src/ibm_pessl.f
  Src/idiag.f
  Src/initatom.f
  Src/initparallel.F
  Src/inver.f
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  Src/iocg.f
  Src/iodm.F
  Src/iodm_netcdf.F90
  Src/iodmhs_netcdf.F90
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  Src/iofa.f
  Src/iogrid_netcdf.F90
  Src/iokp.f
  Src/iolwf.F
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  Src/iopipes.F90
  Src/iowfs_netcdf.F90
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  Src/kgrid.F
  Src/kgridinit.F
  Src/kinefsm.f
  Src/kpoint_convert.f90
  Src/kpoint_grid.F90
  Src/kpoint_pdos.F90
  Src/ksv.f
  Src/ksvinit.F
  Src/lenstr.F
  Src/listsc.f
  Src/local_DOS.F
  Src/m_broyddj.f90
  Src/m_broyddj_nocomm.f90
  Src/m_broyden_mixing.f
  Src/m_cell.f
  Src/m_check_supercell.f
  Src/m_convergence.f90
  Src/m_diagon.F
  Src/m_diis.F90
  Src/m_dipol.F90
  Src/m_dminim.F90
  Src/m_dscfcomm.F
  Src/m_efield.F
  Src/m_energies.F90
  Src/m_eo.F90
  Src/m_fdf_global.F90
  Src/m_filter.f90
  Src/m_fire.f90
  Src/m_fire_mixing.f
  Src/m_fire_para.F90
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  Util/pseudo-xml/sys.f90
  Util/pseudo-xml/xml2psf.f90
  Util/pseudo-xml/xml2psf_helper.f
  Util/sies2arc/cell.f
  Util/sies2arc/constants
  Util/sies2arc/linepro.f
  Util/sies2arc/sies2arc.f
  Util/sies2arc/uncell.f
  Util/sies2arc/wtof.f
  Util/vpsa2bin.f
  Util/vpsb2asc.f
  version.info
  Docs/branch-changes/rc-4.0.CHANGES
  Src/interpolation.f90
  Util/COPYING
  Util/SiestaSubroutine/SimpleTest/Src/simple_parallel.f90
  Util/Vibra/Src/vibra.f

lp:~siesta-poisson/siesta/poisson (Linked to a blueprint) 1 Development 2017-10-12 17:00:15 UTC 2017-10-12
606. working in progress...

Author: Pedro Brandimarte
Revision Date: 2017-10-12 16:38:06 UTC

working in progress...

lp:~siesta-spinctm/siesta/spinctm 1 Development 2017-10-12 15:36:17 UTC 2017-10-12
532. working in progress...

Author: Pedro Brandimarte
Revision Date: 2017-10-12 15:15:33 UTC

working in progress...

lp:~siesta-paw/siesta/paw 1 Development 2017-10-08 14:54:02 UTC 2017-10-08
554. Remove m_paw_hsparse from Makefile

Author: Alberto Garcia
Revision Date: 2016-10-06 12:11:11 UTC

Remove m_paw_hsparse from Makefile

lp:~nickpapior/siesta/make 1 Development 2017-10-08 10:46:59 UTC 2017-10-08
596. Added Makefile.depend to ignore list

Author: Nick Papior
Revision Date: 2017-01-05 11:21:30 UTC

Added Makefile.depend to ignore list

lp:~nickpapior/siesta/esm (Linked to a blueprint) 1 Development 2017-10-08 10:28:28 UTC 2017-10-08
515. When using ESM a citation is added

Author: Nick Papior
Revision Date: 2016-06-07 07:33:14 UTC

When using ESM a citation is added

lp:~nickpapior/siesta/trunk-buds 1 Development 2017-10-08 10:27:41 UTC 2017-10-08
619. Merged trunk r616-617

Author: Nick Papior
Revision Date: 2017-04-17 20:22:22 UTC

Merged trunk r616-617

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:~nickpapior/siesta/trunk-precision 1 Development 2017-10-07 10:21:58 UTC 2017-10-07
625. Updated several smaller parts to use ...

Author: Nick Papior
Revision Date: 2017-06-25 19:24:31 UTC

Updated several smaller parts to use the Kahan summation

These routines now use Kahan summation for their summations:

- dfscf (forces and stress)
- poison (total energy)
- spin-orbit (initial calculation of energy)
- siesta_analysis (charge)

lp:~miguel-pruneda/siesta/linres-parallel 1 Development 2017-09-29 14:54:50 UTC 2017-09-29
636. A few changes in delrho, and related ...

Author: Miguel Pruneda
Revision Date: 2017-09-29 14:43:09 UTC

A few changes in delrho, and related subroutines

lp:~siesta-maint/siesta/max-r2 1 Development 2017-09-21 12:40:10 UTC 2017-09-21
635. Use LRFC extension for linear-respons...

Author: Alberto Garcia
Revision Date: 2017-09-21 12:40:10 UTC

Use LRFC extension for linear-response FC file

* Use the extension 'LRFC' for the force-constant file produced by the
  linear-response subsystem.

* Update the BN_linres example.

Other changes to the code (Thanks to Sergio Illera):

* linresscf.f: new call to dhinit.
               dDscf and dEscf set to zero for restarting purposes.

* dhinit.f: deleted dDscf and dEscf arguments, as they are not needed.

lp:~mathiasljungberg/siesta/dipole_corrections (Linked to a blueprint) 1 Development 2017-05-31 14:46:48 UTC 2017-05-31
624. and the dipole utility

Author: mathias
Revision Date: 2017-05-31 14:46:48 UTC

and the dipole utility

lp:~kovalp/siesta/trunk_splitgauss_cc 1 Development 2017-05-25 09:48:17 UTC 2017-05-25
622. inserted split gauss cc basis type

Author: Petr Koval
Revision Date: 2017-05-25 09:46:49 UTC

inserted split gauss cc basis type

lp:~kovalp/siesta/siesta (Linked to a blueprint) 1 Development 2017-01-26 13:59:37 UTC 2017-01-26
635. update the description of FastConv so...

Author: Petr Koval
Revision Date: 2017-01-26 13:59:37 UTC

update the description of FastConv solver, discussing its slow convergence with MeshSize

lp:~roberto-robles/siesta/trunk-RRR 1 Development 2016-11-28 17:16:49 UTC 2016-11-28
576. Bug corrected when printing PDOS for ...

Author: Roberto Robles
Revision Date: 2016-11-28 17:16:49 UTC

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.

lp:~siesta-sip/siesta/sip-solver (Linked to a blueprint) 1 Development 2016-04-11 23:10:49 UTC 2016-04-11
496. Added a README file to help for insta...

Author: Murat Keceli
Revision Date: 2016-04-11 23:10:49 UTC

Added a README file to help for installation.

Corrected module name in m_qetsc

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