Commits · 4c751c9b6bbe3b327e562f51f39ff626db6f974a · kkr / jukkr · GitLab

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Jul 29, 2019
- remove complexity for compiling KKRnano · 4c751c9b
  Paul Baumeister authored 5 years ago
  
  4c751c9b
Jul 01, 2019
- Merge branch 'develop-writeoutverbosity-kkrimp' into develop · ab93f9f2
  Philipp Rüssmann authored 5 years ago
  
  ab93f9f2
- Change timing verbosity to show master only (see previous commit for log files) · d36454ab
  Philipp Rüssmann authored 5 years ago
  
  d36454ab
- By default write out log file only on master rank (activate all ranks with... · 6db75379
  Philipp Rüssmann authored 5 years ago
  
  By default write out log file only on master rank (activate all ranks with `write_all_ranks` test option)
  6db75379
Jun 28, 2019
- Add docker-exec tag to pages and codecov jobs · 4aff08cc
  Philipp Rüssmann authored 5 years ago
  
  4aff08cc
Jun 27, 2019
- Add forgotten tags · a6bacb26
  Philipp Rüssmann authored 5 years ago
  
  a6bacb26
- Add tags for missing job · 449d646e
  Philipp Rüssmann authored 5 years ago
  
  449d646e
- Use tags for voronoi tests · 60676225
  Philipp Rüssmann authored 5 years ago
  
  60676225
Jun 18, 2019
- Bugfix llyfac communication (was real instead of double complex in bcast) · 350ce103
  Philipp Rüssmann authored 5 years ago
  
  350ce103
Jun 17, 2019
- Use LDA for empty cells (if GGA is used otherwise) · 879ec620
  Philipp Rüssmann authored 5 years ago
  
  879ec620
Jun 06, 2019
- Add forgotten files-> file renaming in main1b and tmat_newsolver · 4a232165
  Philipp Rüssmann authored 5 years ago
  
  4a232165
- Renamed keywords that have 'files' in the name to avoid clash with 'FILES' keyword in inputcard · 30dfe154
  Philipp Rüssmann authored 5 years ago
  
  30dfe154
May 15, 2019
- Enable -mcmodel medium -shared-intel for voronoi intel compile · c081c51d
  Philipp Rüssmann authored 5 years ago
  
  c081c51d
- Allow up to LMAX=8 in voronoi and KKRhost codes · c9047e7c
  Philipp Rüssmann authored 5 years ago
  
  c9047e7c
Apr 18, 2019
- Some bugfix in tmatimp_newsolver · 47b8a9b2
  Philipp Rüssmann authored 5 years ago
  
  47b8a9b2
Apr 15, 2019
- Merge branch 'master' into develop · b1914672
  Philipp Rüssmann authored 5 years ago
  
  b1914672
- Release JuKKR v3.3 · 6e3a6d19
  Philipp Rüssmann authored 5 years ago
  
  message to explain why this merge is necessary,
  View commits for tag v3.3 v3.3
  
  6e3a6d19
- Prepare next release · b86cd0de
  Philipp Rüssmann authored 5 years ago
  
  b86cd0de
- Activate code coverage · 865c9f6c
  Philipp Rüssmann authored 5 years ago
  
  865c9f6c
- Find smallest possible nprincd automatically (without godfrin) · 402aace6
  Philipp Rüssmann authored 5 years ago
  
  402aace6
- Allow tests for parallelization to fail for now (test system broken) · d066f14a
  Philipp Rüssmann authored 5 years ago
  
  d066f14a
- improved error handling of rinput inputcard reading · 1c52ed11
  Philipp Rüssmann authored 5 years ago
  
  1c52ed11
Apr 09, 2019
- Better formatting for test_gdyson output · 5e02ee3e
  Philipp Rüssmann authored 6 years ago
  
  5e02ee3e
- Use rhons etc from KKRhost in KKRimp · 75ffef97
  Philipp Rüssmann authored 6 years ago
  
  75ffef97
- Automatically change word length for gfortran · 319e4f4e
  Philipp Rüssmann authored 6 years ago
  
  319e4f4e
Apr 08, 2019
- Replace double complex by complex(kind=dp) to make debug version work · 0a0db649
  Philipp Rüssmann authored 6 years ago
  
  0a0db649
- Merge branch 'develop' into develop-kkrimp · 780c67f5
  Philipp Rüssmann authored 6 years ago
  
  780c67f5
Mar 22, 2019
- Add check if rabbitmq is running · 689e8a07
  Philipp Rüssmann authored 6 years ago
  
  689e8a07
- Start rabbitmq-server · 7a6460c4
  Philipp Rüssmann authored 6 years ago
  
  7a6460c4
Mar 19, 2019
- Add setup of kkr code to aiida · dd307233
  Philipp Rüssmann authored 6 years ago
  
  dd307233
Mar 18, 2019
- Change voronoi setup to have exec on cluster · 2e865f70
  Philipp Rüssmann authored 6 years ago
  
  2e865f70
- Fix setup_voronoi_aiida.sh · 079add87
  Philipp Rüssmann authored 6 years ago
  
  079add87
- Do voronoi tests first to have voronoi executable for aiida test ready · d053f308
  Philipp Rüssmann authored 6 years ago
  
  d053f308
- Update aiida test to match workflow input/output structure of aiida-kkr==1.1.5 · 505f5abc
  Philipp Rüssmann authored 6 years ago
  
  505f5abc
- Merge branch 'fix_116' into develop · a46b6de6
  Bernd Zimmermann authored 6 years ago
  
  a46b6de6
- implemented a sanity check inside clsgen_tb. It verifies if the coupling... · 06f2d539
  Bernd Zimmermann authored 6 years ago
  
  implemented a sanity check inside clsgen_tb. It verifies if the coupling matrix is indeed block tridiagonal according to the NPRINCD supplied in the inputcard Fixes #116
  06f2d539
Mar 14, 2019
- Make voronoi and kkrimp compile with gfortran (gcc8 version tested) · 085be95e
  Philipp Rüssmann authored 6 years ago
  
  085be95e
Mar 11, 2019
- Allow qdos tests to fail · 0bf87f60
  Philipp Rüssmann authored 6 years ago
  
  0bf87f60
Mar 08, 2019
- Relax qdos check also for SOC case · f1b230e9
  Philipp Rüssmann authored 6 years ago
  
  f1b230e9
- Small fix test running script run_test_03_1_energ25.sh · 375180e9
  Philipp Rüssmann authored 6 years ago
  
  375180e9