Commits · 184176b894fdadb5c87cd49f85047367e2c8b6d6 · fleur / fleur · GitLab

05 Nov, 2018 9 commits
- Update .gitlab-ci.yml · 184176b8
  Daniel Wortmann authored Nov 05, 2018
  
  184176b8
- Modified code to compile with nagfor. · 9086ed21
  dw113919 authored Nov 05, 2018
```
This compiler is a bit picky about some fortran features. In particular it does not like
dummy arguments to be used as dimensions before they are declared...
```
  9086ed21
- hsmt_fjgj split into CPU and (to be)GPU versions · 1d1aa7e7
  Uliana Alekseeva authored Nov 05, 2018
  
  1d1aa7e7
- Add dummy routine for writing out basis set data for GW · 74cf9be8
  Gregor Michalicek authored Nov 05, 2018
  
  74cf9be8
- Removed left over 'use m_apws' from the code · cc58bb6e
  Daniel Wortmann authored Nov 05, 2018
  
  cc58bb6e
- CPP_GPU preprocessor macro turned into CPP_MANAGED one · faff058a
  Uliana Alekseeva authored Nov 05, 2018
  
  faff058a
- Removed old dependency from types_lapw · c7aae36b
  Daniel Wortmann authored Nov 05, 2018
  
  c7aae36b
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 1c930a52
  Daniel Wortmann authored Nov 05, 2018
  
  1c930a52
- Cleaned eigen directory a bit. · 58afad79
  Daniel Wortmann authored Nov 05, 2018
  
  58afad79
31 Oct, 2018 5 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · b3286257
  Matthias Redies authored Oct 31, 2018
  
  b3286257
- most link & include lines are longer than 50 characters · 570512bb
  Matthias Redies authored Oct 31, 2018
  
  570512bb
- Write out volumes to out.xml · 8f072dc3
  Gregor Michalicek authored Oct 31, 2018
  
  8f072dc3
- Fix for last commit · c73023f5
  Daniel Wortmann authored Oct 31, 2018
  
  c73023f5
- Adding a CPP_MANAGED preprocessor macro to avoid some of these #ifdef CPP_GPU stuff · df25e996
  Daniel Wortmann authored Oct 31, 2018
  
  df25e996
30 Oct, 2018 7 commits
- restored the piece of code lost by the last merge · d4cd3fdb
  Uliana Alekseeva authored Oct 30, 2018
  
  d4cd3fdb
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · d7334200
  Uliana Alekseeva authored Oct 30, 2018
  
  d7334200
- Hsmt_sph ported onto GPU · 289cc8b7
  Uliana Alekseeva authored Oct 30, 2018
  
  289cc8b7
- fix for too may communicators error · d8afa3fa
  Matthias Redies authored Oct 30, 2018
  
  d8afa3fa
- fix for too may communicators error · c82f869e
  Matthias Redies authored Oct 30, 2018
  
  c82f869e
- CPP_ScaLapack added to hide a numroc call for the sequential compilation · 9abd67f2
  Uliana Alekseeva authored Oct 30, 2018
  
  9abd67f2
- fix indentation in eigen.F90 · 5f013fa3
  Matthias Redies authored Oct 30, 2018
  
  5f013fa3
29 Oct, 2018 5 commits
- hsmt_sph a bit optimized · 2bf81a97
  Uliana Alekseeva authored Oct 29, 2018
  
  2bf81a97
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 62febca6
  Matthias Redies authored Oct 29, 2018
  
  62febca6
- fixed the too many communicators bug · 807133c6
  Matthias Redies authored Oct 29, 2018
  
  807133c6
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 667e57d0
  S.Rost authored Oct 29, 2018
  
  667e57d0
- added unfolding output to hdf output file · 10452a76
  S.Rost authored Oct 29, 2018
  
  10452a76
26 Oct, 2018 4 commits
- free() must be called for t_mat, not just deallocate · 9f0cd78e
  Matthias Redies authored Oct 26, 2018
  
  9f0cd78e
- Fix MPI_ALLREDUCE for results%neig in eigen/eigen.F90 · cff74c36
  Gregor Michalicek authored Oct 26, 2018
  
  cff74c36
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 0afb6b19
  Daniel Wortmann authored Oct 26, 2018
  
  0afb6b19
- Removed MPI output from non-MPI version. Fixes #211 · 18889f8b
  Daniel Wortmann authored Oct 26, 2018
  
  18889f8b
25 Oct, 2018 3 commits
- Rename test-gfortran -> test-gfortran-hdf5 · 4095a6da
  Gregor Michalicek authored Oct 25, 2018
  
  4095a6da
- Added fulyfullyfullyNoco switch · 5e407323
  Gregor Michalicek authored Oct 25, 2018
```
...I actually call it l_mtNocoPot. It is supposed to switch on
the usage of a noncollinear potential in the MT spheres.
```
  5e407323
- Update .gitlab-ci.yml · c4ac52f1
  Daniel Wortmann authored Oct 25, 2018
  
  c4ac52f1
24 Oct, 2018 3 commits
- Try to use mpi_subcom in blacs grid init to increase stability of MPI version · 542abce2
  Daniel Wortmann authored Oct 24, 2018
  
  542abce2
- Bugfix in types_mpimat · 694bef8a
  Daniel Wortmann authored Oct 24, 2018
  
  694bef8a
- Added functionality to multiply routine in t_mpimat · 86b2cc4f
  Daniel Wortmann authored Oct 24, 2018
  
  86b2cc4f
19 Oct, 2018 3 commits
- unfolded bandstructur debug output deleted · a20c4793
  S.Rost authored Oct 19, 2018
  
  a20c4793
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 2cc2779b
  S.Rost authored Oct 19, 2018
  
  2cc2779b
- kpoint parallel unfolding of band works - with debug output · 3c90dc6c
  S.Rost authored Oct 19, 2018
  
  3c90dc6c
18 Oct, 2018 1 commit
- Use Constant ImagUnit also in SphBessel Module · eb35c2e9
  Miriam Hinzen authored Oct 18, 2018
  
  eb35c2e9