Commits · 0bc7a8aeb016b93a54e283e124cd02c75fee26ac · kkr / jukkr · GitLab

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Oct 14, 2021
- tried to provide a consistent interface to the new wrappers for the scattering... · 0bc7a8ae
  Manuel Dias authored 3 years ago
  
  tried to provide a consistent interface to the new wrappers for the scattering solutions; disabled old rllsll
  0bc7a8ae
Oct 07, 2021
- bfield file not required when using only constraining fields · 9927cbba
  Manuel Dias authored 3 years ago
  
  9927cbba
Oct 06, 2021
- fixed/improved interface to godfrin (invmode=3); also fixed one bug in the... · d2212b65
  Manuel Dias authored 3 years ago
  
  fixed/improved interface to godfrin (invmode=3); also fixed one bug in the godfrin module; added block partitioning utility
  d2212b65
Sep 30, 2021
- Merge branch 'kkrnano-chebyshev-tfQMRgpu' into 'develop' · 818edffd
  Philipp Rüssmann authored 3 years ago
  
  Merge latest KKRnano version into develop See merge request kkr/jukkr!12
  818edffd
- Merge branch 'moving_torque_to_common' into 'develop' · 0bc655aa
  Philipp Rüssmann authored 3 years ago
  
  Move torque module to common See merge request kkr/jukkr!11
  0bc655aa
- Update tests.py for KKRnano to python3 · d6752570
  Philipp Rüssmann authored 3 years ago
  
  d6752570
- Change python2.7 to python3 for kkrnano regtests · d3642bed
  Philipp Rüssmann authored 3 years ago
  
  d3642bed
- 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
- Moving KKRhost/torque.F90 to common. · c962c019
  Nicolas Essing authored 3 years ago
  
  Just the rename and two lines in the cmake files.
  c962c019
- Prepare moving KKRhost/torque.F90 to common. · bff44263
  Nicolas Essing authored 3 years ago
  
  Changed some input arguments so that the module does not depend on any things specific to KKRhost anymore.
  bff44263
- 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