Commits · a34347b903b27b5dfb4629e7efbab7fe01592c09 · kkr / jukkr · GitLab

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Aug 10, 2021
- Activate test for constrining fields · a34347b9
  Philipp Rüssmann authored 3 years ago
  
  a34347b9
Aug 09, 2021
- Merge branch 'develop' of iffgit.fz-juelich.de:kkr/jukkr into develop · 28fe5fbd
  Manuel Dias authored 3 years ago
  
  28fe5fbd
- Revised calculation of atomic orbital moment and added projection to local spin direction · b626bf05
  Manuel Dias authored 3 years ago
  
  b626bf05
- Fixed typo in stop statement · 1103da98
  Sascha Brinker authored 3 years ago
  
  1103da98
- Add constraining field test files · 693046ed
  Philipp Rüssmann authored 3 years ago
  
  693046ed
- Merge branch 'develop' into nocoBfield · 011dd9b0
  Sascha Brinker authored 3 years ago
  
  011dd9b0
Jul 21, 2021
- Added switch for muffin-tin constraint and rms calculation · cc42a504
  Manuel Dias authored 3 years ago
  
  cc42a504
May 28, 2021
- added angles_cutoff to spinmix_broyden · 948a8a5c
  Manuel Dias authored 3 years ago
  
  948a8a5c
May 05, 2021
- Update KKRimp Jij reference file · 29c1c394
  Philipp Rüssmann authored 3 years ago
  
  29c1c394
- Slightly relax Jij file comparison · 06c7deb1
  Philipp Rüssmann authored 3 years ago
  
  06c7deb1
- Remove unneeded linking to kkrflex.exe · e4100b08
  Philipp Rüssmann authored 3 years ago
  
  e4100b08
- Add forgotten Jij_hybrid_test files · c65ea341
  Philipp Rüssmann authored 3 years ago
  
  c65ea341
May 04, 2021
- Add Jij_hybrid test execution for KKRimp · a014ce80
  Philipp Rüssmann authored 3 years ago
  
  a014ce80
- Slightly relax test for KKRimp Jij's (<1e-13 instead of <1e-14) · 4621fd22
  Philipp Rüssmann authored 3 years ago
  
  4621fd22
- Merge branch 'fix_tests' into develop · 482e9a92
  Philipp Rüssmann authored 3 years ago
  
  482e9a92
- Add test 24 · f0297180
  Philipp Rüssmann authored 3 years ago
  
  f0297180
- Change to pip3 for pytest installation · 38bb366c
  Philipp Rüssmann authored 3 years ago
  
  38bb366c
- Fix type in before_script · 4e6292f3
  Philipp Rüssmann authored 3 years ago
  
  4e6292f3
- Make before)script more stable · 5594e618
  Philipp Rüssmann authored 3 years ago
  
  5594e618
- Use python3 in test runs · 77304de8
  Philipp Rüssmann authored 3 years ago
  
  77304de8
- Add writeout for dev/shm size · 81793689
  Philipp Rüssmann authored 3 years ago
  
  81793689
- Reactivate intel compilevars script · 04bf1b87
  Philipp Rüssmann authored 3 years ago
  
  04bf1b87
- Activate MPI debug messages for initial tests · 02b1c2b5
  Philipp Rüssmann authored 3 years ago
  
  02b1c2b5
- Modify paralelization test · 75b7d33e
  Philipp Rüssmann authored 3 years ago
  
  75b7d33e
- Change base image for CI tests · 96a32397
  Philipp Rüssmann authored 3 years ago
  
  96a32397
- Add python info in initial tests · f8e64eb4
  Philipp Rüssmann authored 3 years ago
  
  f8e64eb4
- added test for new <BXCSCL> option · 927aaca5
  Manuel Dias authored 3 years ago
  
  927aaca5
Apr 28, 2021
- added <BXCSCL> option · 658ea893
  Manuel Dias authored 3 years ago
  
  658ea893
- fix for orbital moment calculation · 2013fc87
  Manuel Dias authored 3 years ago
  
  2013fc87
- added <BXCSCL> option · 075693c9
  Manuel Dias authored 3 years ago
  
  075693c9
Mar 29, 2021
- Fix orbital momentum writeout · 9a1545a1
  Philipp Rüssmann authored 4 years ago
  
  This fixes issue #130 and it was found by Juba Bouaziz
  9a1545a1
Jan 26, 2021
- Merge branch 'nocoBfield' of iffgit.fz-juelich.de:kkr/jukkr into nocoBfield · e326c11e
  Manuel Dias authored 4 years ago
  
  e326c11e
Jan 25, 2021
- Adjusted header of bconstr_out.dat · eeeb96b4
  Sascha Brinker authored 4 years ago
  
  eeeb96b4
- angles_cutoff default changed to reproduce standard behavior · d34e82f1
  Manuel Dias authored 4 years ago
  
  d34e82f1
- deleted write angles_cutoff in mpi · f4e4998c
  Manuel Dias authored 4 years ago
  
  f4e4998c
- stop the linear mixing of the angles if the spin moment is smaller than a given value · f30d0084
  Manuel Dias authored 4 years ago
  
  f30d0084
Jan 21, 2021
- prevent broyden mixing for angles when rms is zero · 112784da
  Manuel Dias authored 4 years ago
  
  112784da
Jan 20, 2021
- prevent broyden mixing for angles when rms is zero · 990ccceb
  Manuel Dias authored 4 years ago
  
  990ccceb
- added output and restart file for constraining fields · 4d3a16f7
  Manuel Dias authored 4 years ago
  
  4d3a16f7
- Fixed formating of set_kmesh_large in rinput · d142b163
  Sascha Brinker authored 4 years ago
  
  d142b163