Commits · f9226275fc924a657ff44e6311af09f9cc364ed5 · kkr / jukkr · GitLab

Snippets Groups Projects

Sep 30, 2021
- Remove deleted branch name from test run script · f9226275
  Philipp Rüssmann authored 3 years ago
  
  f9226275
- Merge branch 'develop' into kkrnano-chebyshev-tfQMRgpu · 6b2c5662
  Philipp Rüssmann authored 3 years ago
  
  6b2c5662
Sep 28, 2021
- Merge branch 'kkrnano-activate-tests' into 'kkrnano-chebyshev-tfQMRgpu' · 4b33a2f2
  Philipp Rüssmann authored 3 years ago
  
  Activate running regression tests for KKRnano See merge request kkr/jukkr!8
  4b33a2f2
- Merge branch 'merge_improved_chebychev_solver' into 'develop' · 4f7330ed
  Philipp Rüssmann authored 3 years ago
  
  Merge improved chebychev solver See merge request kkr/jukkr!9
  4f7330ed
- Merge branch 'develop' into merge_improved_chebychev_solver · f75af555
  Philipp Rüssmann authored 3 years ago
  
  And update test 25 to new solver
  f75af555
- Update test files for new Chebychev solver · 74fd0769
  Philipp Rüssmann authored 3 years ago
  
  74fd0769
- Activate Lloyd tests · 248868b5
  Philipp Rüssmann authored 3 years ago
  
  248868b5
Sep 10, 2021
- update code activated by -D DEBUG macro in TYPE=debug Makefile option · 9be76d3e
  Paul Baumeister authored 3 years ago
  
  9be76d3e
Sep 09, 2021
- Prepare KKRnano Makefile for tfQMRgpu library · d9a6c309
  Paul Baumeister authored 3 years ago
  
  mkdir -p build make tfQMRgpu SMP=openmp tfQMRgpu=yes make SMP=openmp tfQMRgpu=yes -j
  d9a6c309
Sep 08, 2021

Implementation of tfQMRgpu · 1feedea7

Coranora authored 3 years ago

Adopted MakeFile, swiched off grouping and changed transposition flags for gpu call.

1feedea7

Aug 18, 2021
- Prepare merge into kkrnano-chebyshev-tfQMRgpu branch · 028a7a76
  Philipp Rüssmann authored 3 years ago
  
  028a7a76
- Remove verbose output of the tests · 1e55376f
  Philipp Rüssmann authored 3 years ago
  
  1e55376f
- Reduce minimum number of ranks used in the tests · 95cdb5ee
  Philipp Rüssmann authored 3 years ago
  
  95cdb5ee
- Minor change · 06551472
  Philipp Rüssmann authored 3 years ago
  
  06551472
- Verbose test run for KKRnano · b4929d6a
  Philipp Rüssmann authored 3 years ago
  
  b4929d6a
- Test: show files for Cu1 before runnig the test · eb35cc8f
  Philipp Rüssmann authored 3 years ago
  
  eb35cc8f
- Change test run for KKRnano from srun to mpirun · 8fa687b5
  Philipp Rüssmann authored 3 years ago
  
  8fa687b5
- Activate KKRnano tests · 3a0a6108
  Philipp Rüssmann authored 3 years ago
  
  3a0a6108
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
Aug 05, 2021
- Corrected error in caling spinorbit_ham · 790bf3ad
  Rudolf Zeller authored 3 years ago and Philipp Rüssmann committed 3 years ago
  
  790bf3ad
- Corrected error in caling spinorbit_ham · 083ad98a
  Rudolf Zeller authored 3 years ago
  
  083ad98a
Aug 03, 2021
- Activate potential writeout with '<write_BdG_tests>= T' input · c3939373
  Philipp Rüssmann authored 3 years ago
  
  c3939373
Jul 21, 2021
- Added switch for muffin-tin constraint and rms calculation · cc42a504
  Manuel Dias authored 3 years ago
  
  cc42a504
Jul 11, 2021
- corrected error in dimension of exc · 2d696890
  Rudolf Zeller authored 3 years ago
  
  2d696890
May 28, 2021
- added angles_cutoff to spinmix_broyden · 948a8a5c
  Manuel Dias authored 3 years ago
  
  948a8a5c
May 25, 2021
- Adds in input possible specification of the a_log parameter of the exponential... · 9a95725e
  Rudolf Zeller authored 3 years ago
  
  Adds in input possible specification of the a_log parameter of the exponential mesh. Removes hard-coded a_log.
  9a95725e
May 18, 2021
- Add output forsum of x,y,z moments in unit cell in noncollinear mode · dfcc5669
  Rudolf Zeller authored 3 years ago
  
  dfcc5669
May 07, 2021
- Skip rhocore calculation if density of states is calculated · f50b35c4
  Rudolf Zeller authored 3 years ago
  
  f50b35c4
May 06, 2021
- New parameter NVAC determining number of empty positions being optimized by centroidal tesselation · dfa7b15c
  Rudolf Zeller authored 3 years ago
  
  dfa7b15c
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