Commits · 15fddc25c92f33f0b426fd8810197b47d2cca1bb · fleur / fleur

02 Oct, 2018 4 commits
- some stuff and indentation · 15fddc25
  Matthias Redies authored Oct 02, 2018
  
  15fddc25
- Merge develop · 9a1765b6
  Matthias Redies authored Oct 02, 2018
  
  9a1765b6
- implements split scheme · 777ec7f5
  Matthias Redies authored Oct 02, 2018
  
  777ec7f5
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · d0e82e60
  Miriam Hinzen authored Oct 02, 2018
  
  d0e82e60
01 Oct, 2018 7 commits
- Bugfix in MPI version · 73509aa4
  Daniel Wortmann authored Oct 01, 2018
  
  73509aa4
- Changes to t_mpimat initializations · e8f51bc4
  Daniel Wortmann authored Oct 01, 2018
  
  e8f51bc4
- Add Yukawa Interstitial Potential in Film Case · 1751ae73
  Miriam Hinzen authored Oct 01, 2018
  
  1751ae73
- Add Yukawa Vacuum Potential in Film Case · e02becd7
  Miriam Hinzen authored Oct 01, 2018
  
  e02becd7
- Set up framework for the film-case implementation of the preconditioner · 91094f50
  Miriam Hinzen authored Oct 01, 2018
  
  91094f50
- Solved merge conflict · b599e1c4
  Miriam Hinzen authored Oct 01, 2018
  
  b599e1c4
- Introduced ImagUnit in constants and replaced with it the parameter declaration of CI · 3fb39116
  Miriam Hinzen authored Oct 01, 2018
  
  3fb39116
28 Sep, 2018 9 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 3e68dc4c
  Daniel Wortmann authored Sep 28, 2018
  
  3e68dc4c
- Modified handling of matrices. Try to ensure that blacs contexts are properly freed. · f4572348
  Daniel Wortmann authored Sep 28, 2018
  
  f4572348
- updated Kerker test · 1373f730
  Miriam Hinzen authored Sep 28, 2018
  
  1373f730
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · c8f3f3c9
  Miriam Hinzen authored Sep 28, 2018
  
  c8f3f3c9
- corrected placement of distance calculation · bf74a351
  Miriam Hinzen authored Sep 28, 2018
  
  bf74a351
- fix indentation · 28f5b60b
  Matthias Redies authored Sep 28, 2018
  
  28f5b60b
- some develop changes tbd · 3fb9ce80
  Matthias Redies authored Sep 28, 2018
  
  3fb9ce80
- more fixing · afa78cc7
  Matthias Redies authored Sep 28, 2018
  
  afa78cc7
- fix indent · 6c21c31b
  Matthias Redies authored Sep 28, 2018
  
  6c21c31b
27 Sep, 2018 4 commits
- fix build · 17ce40de
  Matthias Redies authored Sep 27, 2018
  
  17ce40de
- check if potential xc-functional is MetaGGA · d6103067
  Matthias Redies authored Sep 27, 2018
  
  d6103067
- switched from is_gga to needs_grad · 522a929c
  Matthias Redies authored Sep 27, 2018
  
  522a929c
- added is_LDA · 4d6e2292
  Matthias Redies authored Sep 27, 2018
  
  4d6e2292
26 Sep, 2018 9 commits
- now every build get source info · c4d3502a
  Matthias Redies authored Sep 26, 2018
  
  c4d3502a
- planning to creat is_lda() · ee8e3346
  Matthias Redies authored Sep 26, 2018
  
  ee8e3346
- missing space in install_hdf5.sh, external install hdf5 now working on claix · 97ae0e29
  jb878677 authored Sep 26, 2018
  
  97ae0e29
- MetaGGA only for exc sofar · 304a1f9d
  Matthias Redies authored Sep 26, 2018
  
  304a1f9d
- split is_gga into vxc and exc · d192b448
  Matthias Redies authored Sep 26, 2018
  
  d192b448
- merge develop · 3268a531
  Matthias Redies authored Sep 26, 2018
  
  3268a531
- check deallocatee status in eigen · 2ad012a8
  Matthias Redies authored Sep 26, 2018
  
  2ad012a8
- better output · fa5c1285
  Matthias Redies authored Sep 26, 2018
  
  fa5c1285
- merge develop · cc1a4deb
  Matthias Redies authored Sep 26, 2018
  
  cc1a4deb
25 Sep, 2018 5 commits
- ylm4.f changed to ylm4.f90 · 01d3cc4f
  Uliana Alekseeva authored Sep 25, 2018
  
  01d3cc4f
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f391706f
  Uliana Alekseeva authored Sep 25, 2018
  
  f391706f
- cuf kernel in hsmt_ab · 7618f36e
  Uliana Alekseeva authored Sep 25, 2018
  
  7618f36e
- Update abcof_soc.F90 · 2a828525
  Gustav Bihlmayer authored Sep 25, 2018
  
  2a828525
- Fixed OMP parallelization in abcof_soc.F90 and included LO part. · 0c6b3548
  Gustav Bihlmayer authored Sep 25, 2018
  
  0c6b3548
24 Sep, 2018 2 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 08c083af
  Uliana Alekseeva authored Sep 24, 2018
  
  08c083af
- hsmt_ab ported onto GPU (partly) · 0e88e072
  Uliana Alekseeva authored Sep 24, 2018
  
  0e88e072