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 5 active reviews.

Siesta has 66 active branches owned by 16 people and 7 teams. There were 47 commits by 5 people in the last month.

Bazaar branches

Name Status Last Modified Last Commit
lp:siesta
Series: trunk
bug 1 Development 2019-09-26 07:18:37 UTC 2019-09-26
786. Merged r1127, spell-correction

Author: Nick Papior
Revision Date: 2019-09-26 07:18:37 UTC

Merged r1127, spell-correction

lp:siesta/4.1
Series: 4.1
bug 1 Development 2019-10-08 19:09:55 UTC 2019-10-08
1130. Maintained some documentation

Author: Nick Papior
Revision Date: 2019-10-08 19:09:55 UTC

Maintained some documentation

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 2019-09-10 20:58:40 UTC 2019-09-10
608. Provide an example arch.make for the ...

Author: Alberto Garcia
Revision Date: 2019-09-10 20:58:40 UTC

Provide an example arch.make for the ESL bundle

lp:~dikan.va/siesta/thtr-dm-deriv-output 1 Development 2019-10-10 15:23:22 UTC 2019-10-10
792. Corrected temp fdf settings for deriv...

Author: Vladimir Dikan
Revision Date: 2019-10-10 15:23:22 UTC

Corrected temp fdf settings for deriv output

lp:~jose-soler/siesta/newdynamics 1 Development 2019-10-10 10:35:14 UTC 2019-10-10
751. Removed files from inital version of ...

Author: Jose M Soler
Revision Date: 2019-10-10 10:35:14 UTC

Removed files from inital version of JMS and MFS

removed:
  Src/Tests/
  Src/Tests/Makefile
  Src/Tests/forceLJ.f90
  Src/Tests/icos.f
  Src/Tests/md_test.f90
  Src/Tests/physical_test.f90
  Src/m_recipes.f.THIS
  Src/md_m.f90
  Src/md_types_m.f90
  Src/physical_m.f90
modified:
  Src/Makefile

lp:~dikan.va/siesta/trunk-thtr 1 Development 2019-10-09 16:09:47 UTC 2019-10-09
790. fixed bug with arity of velocities an...

Author: Vladimir Dikan
Revision Date: 2019-10-09 16:09:47 UTC

fixed bug with arity of velocities and coords

lp:~albertog/siesta/legacy-ldau 0 Experimental 2019-10-04 22:05:05 UTC 2019-10-04
311. Stop if user-basis* is used. Proper i...

Author: Alberto Garcia
Revision Date: 2016-02-26 10:34:56 UTC

Stop if user-basis* is used. Proper inclusion of NETCDF_INCFLAGS.

* The code is not prepared to handle .ion or .ion.nc files. Now a
  message is printed and the program stops.

* The variable NETCDF_INCFLAGS was not properly handled in
  Src/Makefile.

modified:
  Src/Makefile
  Src/atom.f90
  Src/atom_basis_io.F90

lp:~albertog/siesta/3.0-gpl 0 Experimental 2019-10-04 21:44:54 UTC 2019-10-04
403. Fixed Util/Macroave and Util/Optimize...

Author: Alberto Garcia
Revision Date: 2015-06-26 18:55:07 UTC

Fixed Util/Macroave and Util/Optimizer

(rc-3)

removed:
  Util/Macroave/Src/recipes.f
added:
  Util/Macroave/Src/README.AbinitCode
modified:
  NOTICE.txt
  Util/Macroave/Src/Makefile
  Util/Macroave/Src/defs_basis.f90
  Util/Macroave/Src/defs_common.f90
  Util/Macroave/Src/hdr_io.f90

lp:~dikan.va/siesta/thtr-func-self-test-example-Jks 0 Experimental 2019-10-01 15:04:16 UTC 2019-10-01
783. KS_flucs_procs refactoring Explicit ...

Author: Vladimir Dikan
Revision Date: 2019-10-01 14:53:19 UTC

KS_flucs_procs refactoring

Explicit allocations of psi-arrays in `compute_Jks`.
H -> H + eo in `compute_Jks`

lp:~nickpapior/siesta/trunk-bulk-bias 0 Experimental 2019-09-20 11:16:48 UTC 2019-09-20
718. Merged 767-783

Author: Nick Papior
Revision Date: 2019-09-20 11:16:48 UTC

Merged 767-783

lp:~nickpapior/siesta/4.1-init-DM (Has a merge proposal) 1 Development 2019-09-19 13:04:40 UTC 2019-09-19
1114. Removed the atomic-state method which...

Author: Nick Papior
Revision Date: 2019-09-19 13:04:40 UTC

Removed the atomic-state method which should never be used

Retained the randomized initialization for experimental
use.

lp:~alesster/siesta/trunk_new_xc (Has a merge proposal) 1 Development 2019-09-06 14:41:37 UTC 2019-09-06
782. -------------- This line and the fo...

Author: Aleksandr V. Terentjev
Revision Date: 2019-09-06 14:39:18 UTC

-------------- This line and the following will be ignored --------------

modified:
  Docs/siesta.tex
  Src/SiestaXC/ggaxc.f
  Src/SiestaXC/vdwxc.F90
  Src/SiestaXC/vv_vdwxc.F90
  Src/atom.F
  Tests/Makefile
  version.info
unknown:
  Docs/branch-changes/NOTES.trunk_new_xc
  Tests/ag_sg4/
  Tests/graphite_c6_sg4/
  Tests/graphite_vdw_pbesvvs/
  Tests/graphite_vdw_pbevv/
  Tests/graphite_vdw_sg4vv/
  Tests/Reference/ag_sg4.out
  Tests/Reference/graphite_c6_sg4.out
  Tests/Reference/graphite_vdw_pbesvvs.out
  Tests/Reference/graphite_vdw_pbevv.out
  Tests/Reference/graphite_vdw_sg4vv.out

lp:~albertog/siesta/trunk-elsi-dm 1 Development 2019-09-02 14:50:38 UTC 2019-09-02
701. Sync to trunk-778 (notably nc/soc wfs...

Author: Alberto Garcia
Revision Date: 2019-09-02 14:50:38 UTC

Sync to trunk-778 (notably nc/soc wfs support)

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:~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:~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:~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:~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/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:~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:~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:~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
  Pseudo/atom/Tutorial/PS_Generation/Ba/
  Pseudo/atom/Tutorial/PS_Generation/Ba/Ba.semicore.inp
  Pseudo/atom/Tutorial/PS_Generation/Ba/Ba.test-gs-last.inp
  Pseudo/atom/Tutorial/PS_Generation/Ba/Ba.test.inp
  Pseudo/atom/Tutorial/PS_Generation/C/
  Pseudo/atom/Tutorial/PS_Generation/C/C.hsc.inp
  Pseudo/atom/Tutorial/PS_Generation/C/C.tm2.inp
  Pseudo/atom/Tutorial/PS_Generation/Cu/
  Pseudo/atom/Tutorial/PS_Generation/Cu/Cu.3dtm2.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.3d74s1.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.gga-cc.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.large-rp.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.sc.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.sc.opt.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.test.inp
  Pseudo/atom/Tutorial/PS_Generation/Fe/Fe.test.sc.inp
  Pseudo/atom/Tutorial/PS_Generation/Guide.txt
  Pseudo/atom/Tutorial/PS_Generation/Na/
  Pseudo/atom/Tutorial/PS_Generation/Na/Na.cc.inp
  Pseudo/atom/Tutorial/PS_Generation/Na/Na.inp
  Pseudo/atom/Tutorial/PS_Generation/Na/Na.test.inp
  Pseudo/atom/Tutorial/PS_Generation/O/
  Pseudo/atom/Tutorial/PS_Generation/O/O.test.inp
  Pseudo/atom/Tutorial/PS_Generation/O/O.tm2.inp
  Pseudo/atom/Tutorial/PS_Generation/ON/
  Pseudo/atom/Tutorial/PS_Generation/ON/ON.tm2.inp
  Pseudo/atom/Tutorial/PS_Generation/ON/README
  Pseudo/atom/Tutorial/PS_Generation/Si/
  Pseudo/atom/Tutorial/PS_Generation/Si/Si.test.inp
  Pseudo/atom/Tutorial/PS_Generation/Si/Si.tm2.inp
  Pseudo/atom/Tutorial/Utils/
  Pseudo/atom/Tutorial/Utils/ae.gplot
  Pseudo/atom/Tutorial/Utils/ae.gps
  Pseudo/atom/Tutorial/Utils/ae.sh
  Pseudo/atom/Tutorial/Utils/charge.gplot
  Pseudo/atom/Tutorial/Utils/charge.gps
  Pseudo/atom/Tutorial/Utils/coreq.gplot
  Pseudo/atom/Tutorial/Utils/coreq.gps
  Pseudo/atom/Tutorial/Utils/pg.sh
  Pseudo/atom/Tutorial/Utils/pots.gplot
  Pseudo/atom/Tutorial/Utils/pots.gps
  Pseudo/atom/Tutorial/Utils/pseudo.gplot
  Pseudo/atom/Tutorial/Utils/pseudo.gps
  Pseudo/atom/Tutorial/Utils/pt.gplot
  Pseudo/atom/Tutorial/Utils/pt.gps
  Pseudo/atom/Tutorial/Utils/pt.sh
  Pseudo/atom/Tutorial/Utils/scrpots.gplot
  Pseudo/atom/Tutorial/Utils/scrpots.gps
  Pseudo/atom/Tutorial/Utils/subps.gplot
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  Pseudo/atom/Tutorial/Utils/vcharge.gplot
  Pseudo/atom/Tutorial/Utils/vcharge.gps
  Pseudo/atom/Tutorial/Utils/vspin.gplot
  Pseudo/atom/Tutorial/Utils/vspin.gps
  Pseudo/atom/Util/
  Pseudo/atom/Util/Ps2Inp/
  Pseudo/atom/Util/Ps2Inp/die.F
  Pseudo/atom/Util/Ps2Inp/flib_spline.f90
  Pseudo/atom/Util/Ps2Inp/make_ps_input.f90
  Pseudo/atom/Util/Ps2Inp/pseudopotential.f
  Pseudo/atom/Util/cdf2vps.f
  Pseudo/atom/Util/convert.sh
  Pseudo/atom/Util/makefile
  Pseudo/atom/Util/vps2cdf.f
  Pseudo/atom/Util/vpsa2bin.f
  Pseudo/atom/Util/vpsb2asc.f
  Pseudo/atom/am05.f
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  Pseudo/atom/aux_general.f
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  Pseudo/atom/auxf95.f
  Pseudo/atom/auxibm.f
  Pseudo/atom/auxosf.f
  Pseudo/atom/auxsun.f
  Pseudo/atom/auxvax.f
  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/
  Util/test-xml/README
  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/
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  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.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:
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  Docs/siesta.tex
  Examples/README
  Examples/Vps/README
  README
  Src/Confs/arina-mpi.conf
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  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
  Src/atom.F
  Src/atom_options.F90
  Src/atomlist.f
  Src/atomlwf.F
  Src/automatic_cell.f
  Src/bands.F
  Src/basis_enthalpy.f90
  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
  Src/cart2frac.f
  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
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  Src/cpu_time.f90
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  Src/dipole.F
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  Src/doping_uniform.F
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  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
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  Src/gradientlomem.F
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  Util/Vibra/Examples/si54.fdf
  Util/Vibra/Src/Makefile
  Util/Vibra/Src/chkdim.f
  Util/Vibra/Src/fcbuild.f
  Util/Vibra/Src/hermdp.f
  Util/Vibra/Src/io.f
  Util/Vibra/Src/klines.f
  Util/Vibra/Src/outbands.f
  Util/Vibra/Src/parse.f
  Util/Vibra/Src/paste.f
  Util/Vibra/Src/reclat.f
  Util/Vibra/Src/recoor.f
  Util/Vibra/Src/vibra.h
  Util/WFS/info_wfsx.f
  Util/WFS/makefile
  Util/WFS/readwf.f
  Util/WFS/readwfx.f
  Util/WFS/wfs2wfsx.f
  Util/WFS/wfsnc2wfsx.F90
  Util/WFS/wfsx2wfs.f
  Util/build_all.sh*
  Util/pdosxml/m_orbital_chooser.f90
  Util/pdosxml/m_pdos.f90
  Util/pdosxml/makefile
  Util/pdosxml/pdosxml.f90
  Util/pseudo-xml/io.f
  Util/pseudo-xml/m_pseudo.f90
  Util/pseudo-xml/m_pseudo_types.f90
  Util/pseudo-xml/makefile
  Util/pseudo-xml/pseudopotential.f
  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/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:~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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