Commits · b8089f5d1d49a58be9583cc4f2c69f05c6bf45c1 · kkr / jukkr · GitLab

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Jul 29, 2019
- remove complexity for compiling KKRnano · b8089f5d
  Paul Baumeister authored 5 years ago
  
  b8089f5d
Apr 15, 2019
- 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 5 years ago
  
  5e02ee3e
- Use rhons etc from KKRhost in KKRimp · 75ffef97
  Philipp Rüssmann authored 5 years ago
  
  75ffef97
- Automatically change word length for gfortran · 319e4f4e
  Philipp Rüssmann authored 5 years ago
  
  319e4f4e
Apr 08, 2019
- Replace double complex by complex(kind=dp) to make debug version work · 0a0db649
  Philipp Rüssmann authored 5 years ago
  
  0a0db649
- Merge branch 'develop' into develop-kkrimp · 780c67f5
  Philipp Rüssmann authored 5 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
- Fix qdos test assertion · 4a44efce
  Philipp Rüssmann authored 6 years ago
  
  4a44efce
- Relax qdos test · bd3903a7
  Philipp Rüssmann authored 6 years ago
  
  bd3903a7
- change file ending of rhoin to activate preprocessing · 8fd2025c
  Philipp Rüssmann authored 6 years ago
  
  8fd2025c
- Cleanup of rhoin and add test scripts · e830b206
  Philipp Rüssmann authored 6 years ago
  
  e830b206
Mar 07, 2019
- change zdotu to dot_product, this fixes gfortran error in qdos test · 5df906d4
  Philipp Rüssmann authored 6 years ago
  
  5df906d4
- Increased accuracy of things written out for BdG tests · 19af682c
  Philipp Rüssmann authored 6 years ago
  
  19af682c
- Updated version of check_wronskian and added check_tmat scripts · 88ff748e
  Philipp Rüssmann authored 6 years ago
  
  88ff748e
- Slight modification of tmat test writeout · de91b3a5
  Philipp Rüssmann authored 6 years ago
  
  de91b3a5
- Addded wronskian test writeout, works only wihth NEWSOSOL and without NOSOC... · e1862c73
  Philipp Rüssmann authored 6 years ago
  
  Addded wronskian test writeout, works only wihth NEWSOSOL and without NOSOC option (use SOCSCL=0 instead)
  e1862c73
Mar 06, 2019
- Fix rhoq compile · 2d79f4f7
  Philipp Rüssmann authored 6 years ago
  
  2d79f4f7
- Fix KKRimp compile after removing unused wrapper module · 0d855e89
  Philipp Rüssmann authored 6 years ago
  
  0d855e89
- Added Manuels xsf maker to utils · f92a5e6d
  Philipp Rüssmann authored 6 years ago
  
  f92a5e6d
- Merge branch 'BdG' into develop · ee206ec8
  Philipp Rüssmann authored 6 years ago
  
  ee206ec8
- Make gfortran compile again · d939d01e
  Philipp Rüssmann authored 6 years ago
  
  d939d01e
- Moved wronskian check to common directory and fix qdos verification paths · 09e008d4
  Philipp Rüssmann authored 6 years ago
  
  09e008d4