bzr branch lp:siesta
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Siesta has 4 active reviews. See all merge proposals.
Siesta has 70 active branches owned by 17 people and 8 teams. There were 0 commits in the last month.
Bazaar branches
Name | Status | Last Modified | Last Commit | |
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lp:siesta
Series: trunk |
1 Development | 2019-09-26 07:18:37 UTC |
786.
Merged r1127, spell-correction
Author:
Nick Papior
Merged r1127, spell-correction |
|
lp:siesta/4.1
Series: 4.1 |
1 Development | 2019-10-08 19:09:55 UTC |
1130.
Maintained some documentation
Author:
Nick Papior
Maintained some documentation |
|
lp:siesta/4.0
Series: 4.0 |
2 Mature | 2019-07-29 08:48:49 UTC |
596.
Fixed cell transpose for socket commu...
Author:
Nick Papior
Fixed cell transpose for socket communication, fixes lp:1835196 I have tested this using the ASE socket implementation and there |
|
lp:siesta/ Series: psml-support |
1 Development | 2019-09-10 20:58:40 UTC |
608.
Provide an example arch.make for the ...
Author:
Alberto Garcia
Provide an example arch.make for the ESL bundle |
|
lp:~albertog/ |
1 Development | 2020-01-20 08:17:35 UTC |
244.
Implementation of forces with bulk el...
Author:
Alberto Garcia
Implementation of forces with bulk electric fields This commit updates the branch with a snapshot of the A few cosmetic changes were needed for a simple compilation. The detailed documentation for the implementation is not added: |
|
lp:~albertog/ |
1 Development | 2020-01-20 08:11:58 UTC |
392.
Port of the finite field code to vers...
Author:
Javier Junquera
Port of the finite field code to version 390 branch Small changes in meshsubs.F to avoid compilation problems. modified: |
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lp:~ustb- |
1 Development | 2019-11-22 11:32:59 UTC | This branch has not been imported yet. | |
lp:~javier- |
1 Development | 2019-11-05 10:24:57 UTC |
745.
Testing of the mixing when we introdu...
Author:
Javier Junquera
Testing of the mixing when we introduce the chemical potentials on the Wanniers |
|
lp:~siesta- |
1 Development | 2019-10-31 17:26:41 UTC |
761.
Fixed issues regarding size of EDM in...
Author:
Nils Wittemeier
Fixed issues regarding size of EDM in SOC case |
|
lp:~nickpapior/ |
1 Development | 2019-10-17 18:29:07 UTC |
602.
Merged trunk-r594-632
Author:
Nick Papior
Merged trunk-r594-632 |
|
lp:~dikan. |
1 Development | 2019-10-10 15:23:22 UTC |
792.
Corrected temp fdf settings for deriv...
Author:
Vladimir Dikan
Corrected temp fdf settings for deriv output |
|
lp:~jose- |
1 Development | 2019-10-10 10:35:14 UTC |
751.
Removed files from inital version of ...
Author:
Jose M Soler
Removed files from inital version of JMS and MFS removed: |
|
lp:~dikan. |
1 Development | 2019-10-09 16:09:47 UTC |
790.
fixed bug with arity of velocities an...
Author:
Vladimir Dikan
fixed bug with arity of velocities and coords |
|
lp:~albertog/ |
0 Experimental | 2019-10-04 22:05:05 UTC |
311.
Stop if user-basis* is used. Proper i...
Author:
Alberto Garcia
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 * The variable NETCDF_INCFLAGS was not properly handled in modified: |
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lp:~albertog/ |
0 Experimental | 2019-10-04 21:44:54 UTC |
403.
Fixed Util/Macroave and Util/Optimize...
Author:
Alberto Garcia
Fixed Util/Macroave and Util/Optimizer (rc-3) removed: |
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lp:~dikan. |
0 Experimental | 2019-10-01 15:04:16 UTC |
783.
KS_flucs_procs refactoring
Explicit ...
Author:
Vladimir Dikan
KS_flucs_procs refactoring Explicit allocations of psi-arrays in `compute_Jks`. |
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lp:~nickpapior/ |
0 Experimental | 2019-09-20 11:16:48 UTC |
718.
Merged 767-783
Author:
Nick Papior
Merged 767-783 |
|
lp:~nickpapior/ |
1 Development | 2019-09-19 13:04:40 UTC |
1114.
Removed the atomic-state method which...
Author:
Nick Papior
Removed the atomic-state method which should never be used Retained the randomized initialization for experimental |
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lp:~alesster/ |
1 Development | 2019-09-06 14:41:37 UTC |
782.
-------------- This line and the fo...
Author:
Aleksandr V. Terentjev
-------------- This line and the following will be ignored -------------- modified: |
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lp:~albertog/ |
1 Development | 2019-09-02 14:50:38 UTC |
701.
Sync to trunk-778 (notably nc/soc wfs...
Author:
Alberto Garcia
Sync to trunk-778 (notably nc/soc wfs support) |
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lp:~gonzooznog/ |
1 Development | 2019-07-31 14:21:55 UTC |
493.
more typo
Author:
matthieu verstraete
more typo |
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lp:~albertog/ |
1 Development | 2019-07-24 13:59:37 UTC |
779.
Sync to end of phase-1 of Rogeli Grim...
Author:
Alberto Garcia
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 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. |
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lp:~jonaslb/ |
1 Development | 2019-07-22 10:35:17 UTC |
767.
MD.FCdispl.x|y|z can now be specified...
Author:
Jonas L. B.
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 |
|
lp:~albertog/ |
1 Development | 2019-07-16 15:37:55 UTC |
781.
Cosmetic changes. Add TO_DO.txt file
...
Author:
Alberto Garcia
Cosmetic changes. Add TO_DO.txt file Add to-do file to keep track of things to be done. |
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lp:~albertog/ |
1 Development | 2019-06-28 16:54:22 UTC |
702.
Use simpler driver routine. Set spin-...
Author:
Alberto Garcia
Use simpler driver routine. Set spin-degeneracy |
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lp:~kovalp/ |
1 Development | 2019-06-28 13:14:07 UTC |
596.
changes
Author:
Petr Koval
changes |
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lp:~kovalp/ |
1 Development | 2019-06-28 12:57:14 UTC |
1084.
small fixes for windows
Author:
Petr Koval
small fixes for windows |
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lp:~albertog/ |
1 Development | 2019-06-21 10:53:27 UTC |
1075.
Fix supercell determination algorithm...
Author:
Alberto Garcia
Fix supercell determination algorithm. Problems remain |
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lp:~aakhtar/ |
1 Development | 2019-06-11 12:29:36 UTC |
487.
Test Folder and Script added
Author:
<email address hidden>
Test Folder and Script added |
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lp:~javier- |
1 Development | 2019-05-27 08:59:39 UTC |
764.
Merge 4.1:1069-71: lua MPI 0, docs, ...
Author:
Alberto Garcia
Merge 4.1:1069-71: lua MPI 0, docs, matel pool lp:1815735 |
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lp:~pablolopez/ |
2 Mature | 2019-04-11 21:23:50 UTC |
767.
Adding branch-changes.
Author:
Pablo Lopez
Adding branch-changes. |
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lp:~javier- |
1 Development | 2019-04-05 12:13:52 UTC |
611.
Remove Wannier90 directory
Author:
Javier Junquera
Remove Wannier90 directory |
|
lp:~pouillon/ |
1 Development | 2019-04-03 21:34:18 UTC |
700.
Fixed the documentation of m_w90_in_s...
Author:
Yann Pouillon
Fixed the documentation of m_w90_in_siesta |
|
lp:~aakhtar/ |
1 Development | 2019-04-03 09:25:54 UTC |
486.
Space group Test folder added
Author:
<email address hidden>
Space group Test folder added |
|
lp:~pablolopez/ |
1 Development | 2019-04-01 13:49:26 UTC |
766.
Rise of warnings when using slab and ...
Author:
Pablo Lopez
Rise of warnings when using slab and molecule shapes. |
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lp:~pablolopez/ |
1 Development | 2019-03-29 12:35:52 UTC |
763.
Avoiding electron density writing in ...
Author:
Pablo Lopez
Avoiding electron density writing in n+1 step. |
|
lp:~albertog/ |
1 Development | 2019-03-14 08:11:53 UTC |
609.
Change names of serialization-related...
Author:
Alberto Garcia
Change names of serialization- |
|
lp:~albertog/ |
1 Development | 2019-03-13 21:50:32 UTC |
766.
Use xijo (assuming force-aux-cell)
T...
Author:
Alberto Garcia
Use xijo (assuming force-aux-cell) This fixes a bug, and gives the same results as the previous version. |
|
lp:~nickpapior/ |
1 Development | 2019-02-28 08:27:51 UTC |
1072.
Finalized calculation of low-D stress...
Author:
Nick Papior
Finalized calculation of low-D stress tensors using the shaper routine We now calculate the vacuum regions based on the shaper routine. graphene_perp |
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lp:~albertog/ |
1 Development | 2019-02-25 10:11:23 UTC |
748.
Reduce bloat in spin_texture
Remove ...
Author:
Alberto Garcia
Reduce bloat in spin_texture Remove unneeded large array, and consolidate loops |
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lp:~garsua/ |
1 Development | 2019-01-16 10:53:11 UTC |
696.
Cosmetic changes on m_elsi_interface....
Author:
Victor GS
Cosmetic changes on m_elsi_ |
|
lp:~linres/ |
1 Development | 2018-12-19 16:42:54 UTC |
666.
Modularized delrhog in the same way a...
Author:
Sergio Illera Developer
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. Updated the LR_tests and its solutions. |
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lp:~rraffiu/ |
1 Development | 2018-12-05 06:56:37 UTC |
732.
Added different options for matrix in...
Author:
Rafi Ullah
Added different options for matrix inversion in Crank-Nicolson algorithm modified: Src/cranknic_ |
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lp:~roberto- |
1 Development | 2018-11-15 15:19:53 UTC |
747.
Calculation of spin texture added.
Author:
Roberto Robles
Calculation of spin texture added. |
|
lp:~albertog/ |
1 Development | 2018-11-03 23:36:37 UTC |
604.
Fuller support for xc handles and str...
Author:
Alberto Garcia
Fuller support for xc handles and streamlined logic Second step in the conversion, including Util. XC mode is still "strict": based on pseudopotential information. |
|
lp:~javier- |
1 Development | 2018-10-24 11:40:26 UTC |
594.
Siesta-PSML-R1 release
Author:
Alberto Garcia
Siesta-PSML-R1 release |
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lp:~albertog/ |
1 Development | 2018-10-22 21:30:28 UTC |
601.
Wrap MPI check on number of procs for...
Author:
Alberto Garcia
Wrap MPI check on number of procs for ELSI solver |
|
lp:~albertog/ |
1 Development | 2018-06-29 13:50:14 UTC |
658.
Merge rev 658 from linres-parallel: m...
Author:
Alberto Garcia
Merge rev 658 from linres-parallel: more documentation - Added a libxc test in LR_TESTS |
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lp:~albertog/ |
1 Development | 2018-06-19 08:26:43 UTC |
704.
Use ebs_density internal routine in d...
Author:
Alberto Garcia
Use ebs_density internal routine in dhscf |
|
lp:~pablolopez/ |
1 Development | 2018-05-14 09:38:16 UTC |
695.
Merged r905-909, small fixes here and...
Author:
Nick Papior
Merged r905-909, small fixes here and there, improved print-out for ts |
|
lp:~nickpapior/ |
1 Development | 2018-04-17 13:35:57 UTC |
646.
Fixed error in calculation of S in NC...
Author:
Nick Papior
Fixed error in calculation of S in NC calculations |
|
lp:~albertog/ |
1 Development | 2018-02-09 11:43:54 UTC |
664.
Implement a first version of broadeni...
Author:
Alberto Garcia
Implement a first version of broadening Use the ELSI customization options to request FERMI broadening. How do we get the electronic entropy from ELSI? (+ remove the check of summing the energy over spins -- it is not |
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lp:~pouillon/ |
1 Development | 2018-01-18 15:53:49 UTC |
662.
Wrote documentation for the YAML outp...
Author:
Yann Pouillon
Wrote documentation for the YAML output generation and analysis |
|
lp:~kovalp/ |
1 Development | 2018-01-13 03:29:57 UTC |
630.
README about decommissioning this branch
Author:
Petr Koval
README about decommissioning this branch |
|
lp:~kovalp/ |
1 Development | 2018-01-13 03:25:51 UTC |
572.
small readme about split gauss correl...
Author:
Petr Koval
small readme about split gauss correlation- |
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lp:~albertog/ |
0 Experimental | 2017-10-27 13:51:38 UTC |
624.
Update to Oct 22, 2017 gitlab version...
Author:
Alberto Garcia
Update to Oct 22, 2017 gitlab version - Update calls to customization routines |
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lp:~jose- |
1 Development | 2017-10-13 15:03:34 UTC |
475.
Merged with trunk 503
removed:
Pse...
Author:
Jose M Soler
Merged with trunk 503 removed: |
|
lp:~siesta- |
1 Development | 2017-10-12 17:00:15 UTC |
606.
working in progress...
Author:
Pedro Brandimarte
working in progress... |
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lp:~siesta- |
1 Development | 2017-10-12 15:36:17 UTC |
532.
working in progress...
Author:
Pedro Brandimarte
working in progress... |
|
lp:~siesta- |
1 Development | 2017-10-08 14:54:02 UTC |
554.
Remove m_paw_hsparse from Makefile
Author:
Alberto Garcia
Remove m_paw_hsparse from Makefile |
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lp:~nickpapior/ |
1 Development | 2017-10-08 10:28:28 UTC |
515.
When using ESM a citation is added
Author:
Nick Papior
When using ESM a citation is added |
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lp:~nickpapior/ |
1 Development | 2017-10-08 10:27:41 UTC |
619.
Merged trunk r616-617
Author:
Nick Papior
Merged trunk r616-617 |
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lp:~albertog/ |
1 Development | 2017-10-08 07:56:05 UTC |
597.
Merge multigrid solver from NOSSI pro...
Author:
Olivier Coulaud
Merge multigrid solver from NOSSI project As part of the NOSSI project, a multigrid solver appropriate This version needs to run in parallel. No wrapping of the added: |
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lp:~nickpapior/ |
1 Development | 2017-10-07 10:21:58 UTC |
625.
Updated several smaller parts to use ...
Author:
Nick Papior
Updated several smaller parts to use the Kahan summation These routines now use Kahan summation for their summations: - dfscf (forces and stress) |
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lp:~siesta- |
1 Development | 2017-09-21 12:40:10 UTC |
635.
Use LRFC extension for linear-respons...
Author:
Alberto Garcia
Use LRFC extension for linear-response FC file * Use the extension 'LRFC' for the force-constant file produced by the * Update the BN_linres example. Other changes to the code (Thanks to Sergio Illera): * linresscf.f: new call to dhinit. * dhinit.f: deleted dDscf and dEscf arguments, as they are not needed. |
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lp:~mathiasljun |
1 Development | 2017-05-31 14:46:48 UTC |
624.
and the dipole utility
Author:
mathias
and the dipole utility |
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lp:~kovalp/ |
1 Development | 2017-05-25 09:48:17 UTC |
622.
inserted split gauss cc basis type
Author:
Petr Koval
inserted split gauss cc basis type |
|
lp:~kovalp/ |
1 Development | 2017-01-26 13:59:37 UTC |
635.
update the description of FastConv so...
Author:
Petr Koval
update the description of FastConv solver, discussing its slow convergence with MeshSize |
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lp:~roberto- |
1 Development | 2016-11-28 17:16:49 UTC |
576.
Bug corrected when printing PDOS for ...
Author:
Roberto Robles
Bug corrected when printing PDOS for non-collinear calculations: only the first Factor 2 was missed in third and fourth components of DOS and PDOS. Now |
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lp:~siesta- |
1 Development | 2016-04-11 23:10:49 UTC |
496.
Added a README file to help for insta...
Author:
Murat Keceli
Added a README file to help for installation. Corrected module name in m_qetsc |
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