Commits · c90b20489f281d192e77491178e82f6ac4ece2c8 · fleur / fleur

13 May, 2019 3 commits
- more debugging output · c90b2048
  Matthias Redies authored May 13, 2019
  
  c90b2048
- remove para tests for now · 0d8613ec
  Matthias Redies authored May 13, 2019
  
  0d8613ec
- add strings to juDFT · 775e1792
  Matthias Redies authored May 13, 2019
  
  775e1792
09 May, 2019 14 commits
- merge daniels fixes · d5e6c308
  Matthias Redies authored May 09, 2019
  
  d5e6c308
- Bugfix in tlmplm_cholesky. Shifting was broken... Should help with #245 . · 37c97a93
  Daniel Wortmann authored May 09, 2019
  
  37c97a93
- Bugfixes for check_para.F90 · 7548d16e
  Daniel Wortmann authored May 09, 2019
  
  7548d16e
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 216b53c3
  Daniel Wortmann authored May 09, 2019
```
Conflicts:
	juDFT/check_para.F90
```
  216b53c3
- Bugfix in check_para.f90 · 929061c1
  Daniel Wortmann authored May 09, 2019
  
  929061c1
- merge saveguards · 7e655f0b
  Matthias Redies authored May 09, 2019
  
  7e655f0b
- MPI saveguard for speed checks · a1f07339
  Matthias Redies authored May 09, 2019
  
  a1f07339
- Bugfix for last commit · 5f27a13c
  Daniel Wortmann authored May 09, 2019
  
  5f27a13c
- Bugfix for last commit · d6c67ae8
  Daniel Wortmann authored May 09, 2019
  
  d6c67ae8
- Applied same fix as last commit to DMI · 53f8ff67
  Daniel Wortmann authored May 09, 2019
  
  53f8ff67
- Fixed rotation of SQA in spin-spiral force-theorem mode · 0f585a8c
  Daniel Wortmann authored May 09, 2019
  
  0f585a8c
- merge develop · 39708359
  Matthias Redies authored May 09, 2019
  
  39708359
- t pushMerge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · ff254323
  Matthias Redies authored May 09, 2019
  
  ff254323
- add more information to parallel check · ee77d973
  Matthias Redies authored May 09, 2019
  
  ee77d973
08 May, 2019 15 commits
- Removed mkdocs directory for new webpage. This is now a new git-repository... · 56372194
  Daniel Wortmann authored May 08, 2019
  
  56372194
- Update wscn06.md · c9c34ab3
  Gustav Bihlmayer authored May 08, 2019
  
  c9c34ab3
- Add workshop WSCN 06 · 9f4ea86b
  Gustav Bihlmayer authored May 08, 2019
  
  9f4ea86b
- Update workshops.md · a5b39a24
  Gustav Bihlmayer authored May 08, 2019
  
  a5b39a24
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 733e098e
  Matthias Redies authored May 08, 2019
  
  733e098e
- added parallelization test for OpenMP · bf25e628
  Matthias Redies authored May 08, 2019
  
  bf25e628
- cut off reset · 671e0104
  Matthias Redies authored May 08, 2019
  
  671e0104
- added parallelization test for OpenMP · 89d3092d
  Matthias Redies authored May 08, 2019
  
  89d3092d
- Limited minRmts to maximum default value already a bit earlier (step 5) in chkmt.f90 · 9bf05e70
  Gustav Bihlmayer authored May 08, 2019
  
  9bf05e70
- Fixes for Spin-spirals. Might help with issue #233. · 25f08f10
  Daniel Wortmann authored May 08, 2019
  
  25f08f10
- Update symmetries.md (subscripts) · a89cf6e1
  Gustav Bihlmayer authored May 08, 2019
  
  a89cf6e1
- Update elements.md · afa65c76
  Gustav Bihlmayer authored May 08, 2019
  
  afa65c76
- Update elements.md (subscripts) · 2d321842
  Gustav Bihlmayer authored May 08, 2019
  
  2d321842
- Update elements.md · 98db663f
  Gustav Bihlmayer authored May 08, 2019
  
  98db663f
- open mp parallelization of unfolding band routine · 4d160ff3
  Stefan Rost authored May 08, 2019
  
  4d160ff3
07 May, 2019 1 commit
- Make xmloutput be compatible with aiida-fleur parser again · 7ea5b6c9
  Vasily Tseplyaev authored May 07, 2019
  
  7ea5b6c9
06 May, 2019 6 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · c558fbfd
  Matthias Redies authored May 06, 2019
  
  c558fbfd
- remove unnecessary format · 8ea33017
  Matthias Redies authored May 06, 2019
  
  8ea33017
- remove unnecessary format · 1aa785af
  Matthias Redies authored May 06, 2019
  
  1aa785af
- Change forcetheorem output slightly · 49a4d9aa
  Vasily Tseplyaev authored May 06, 2019
```
'Q-vec:' attribute of the out.xml output was renamed to
'Q-vec' (colon removed) because the former name could not
be parsed in aiida-fleur via lxml for some reason
```
  49a4d9aa
- Merge branch 'develop' into MetaGGA · 22884882
  Matthias Redies authored May 06, 2019
  
  22884882
- cut cores und use pbe · 3a7328ee
  Matthias Redies authored May 06, 2019
  
  3a7328ee
02 May, 2019 1 commit
- Slightly more informative output if the potential shift is too small · 8300a407
  Gregor Michalicek authored May 02, 2019
  
  8300a407