Commits · 8b5925a952d40ea0af587abe8dd6fad567ef9dc3 · fleur / fleur · GitLab

29 Jan, 2019 1 commit
- wrong kind of weights result in factor 2 · 8b5925a9
  Matthias Redies authored Jan 29, 2019
  
  8b5925a9
28 Jan, 2019 3 commits
- merge fix · d16d3702
  Matthias Redies authored Jan 28, 2019
  
  d16d3702
- pre monday merge · 4b65d160
  Matthias Redies authored Jan 28, 2019
  
  4b65d160
- pre monday merge · 5cafd10b
  Matthias Redies authored Jan 28, 2019
  
  5cafd10b
25 Jan, 2019 4 commits
- Make CoMCDXML test less sensitive · 3615dabb
  Gregor Michalicek authored Jan 25, 2019
  
  3615dabb
- Remove debug output from eigen_soc/alineso.F90 · 80b73f85
  Gregor Michalicek authored Jan 25, 2019
  
  80b73f85
- Removed output to stdout for reading of q-vectors in force-theorem setups · 40cf503c
  Daniel Wortmann authored Jan 25, 2019
  
  40cf503c
- Bugfixes for LOs & Spin-spiral calculations · 0f3a8f31
  Daniel Wortmann authored Jan 25, 2019
  
  0f3a8f31
23 Jan, 2019 5 commits
- this way the backup solution works multiple times · 565fdad2
  Matthias Redies authored Jan 23, 2019
  
  565fdad2
- The mpi variable added in the cdntot subroutine · b0a2ce51
  Uliana Alekseeva authored Jan 23, 2019
  
  b0a2ce51
- The start and the end of the loop added in pwint · e9f9a1ea
  Uliana Alekseeva authored Jan 23, 2019
  
  e9f9a1ea
- adjusted for >999 atoms · cbf3c4d5
  Uliana Alekseeva authored Jan 23, 2019
  
  cbf3c4d5
- pre-valgrind session · 1ddd915b
  Matthias Redies authored Jan 23, 2019
  
  1ddd915b
22 Jan, 2019 4 commits
- Initialize input%film in io/r_inpXML.F90 for inpeig call. · 42b3915c
  Gregor Michalicek authored Jan 22, 2019
```
...it is also initialized at a later point in io/r_inpXML.F90.
```
  42b3915c
- Fix possible problem in io/writeBasis.F90 for k point coordinates of the type -0.00000 · f668d86c
  Gregor Michalicek authored Jan 22, 2019
  
  f668d86c
- Merge branch 'develop' into MetaGGA · 6c236cdc
  Matthias Redies authored Jan 22, 2019
  
  6c236cdc
- pre-morning merge · 9c94dedf
  Matthias Redies authored Jan 22, 2019
  
  9c94dedf
21 Jan, 2019 7 commits
- Fix of last commit · 3910a459
  Gregor Michalicek authored Jan 21, 2019
  
  3910a459
- Fix io/writeBasis.F90 for maultiple identical k points · ed20b3ac
  Gregor Michalicek authored Jan 21, 2019
  
  ed20b3ac
- OpenMP parallelization added in strgn.f90 · 09dd6836
  Uliana Alekseeva authored Jan 21, 2019
  
  09dd6836
- spelling error · 737ceb22
  Matthias Redies authored Jan 21, 2019
  
  737ceb22
- add factor 0.5 to kinetic energy den · d399d96b
  Matthias Redies authored Jan 21, 2019
  
  d399d96b
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · b5d1a4f9
  Uliana Alekseeva authored Jan 21, 2019
  
  b5d1a4f9
- two more timers added · e643bada
  Uliana Alekseeva authored Jan 21, 2019
  
  e643bada
18 Jan, 2019 3 commits
- Small bugfix for fully-fully noco · 4dc5f6fd
  Daniel Wortmann authored Jan 18, 2019
  
  4dc5f6fd
- Fix for spin-spiral calculations. Should solve #233 · 1dd5b87f
  Daniel Wortmann authored Jan 18, 2019
  
  1dd5b87f
- change mpi interface · 77df507d
  Matthias Redies authored Jan 18, 2019
  
  77df507d
17 Jan, 2019 7 commits
- postProcess timer added · d686436d
  Uliana Alekseeva authored Jan 17, 2019
  
  d686436d
- Merge branch 'develop' into MetaGGA · 64322b1a
  Matthias Redies authored Jan 17, 2019
  
  64322b1a
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 7377bd3d
  Uliana Alekseeva authored Jan 17, 2019
  
  7377bd3d
- hoping to have fixed the last fix... · 103e093c
  Uliana Alekseeva authored Jan 17, 2019
  
  103e093c
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 2dd1d086
  Matthias Redies authored Jan 17, 2019
  
  2dd1d086
- usage.json now has iterations run, not planned · dfb104ff
  Matthias Redies authored Jan 17, 2019
  
  dfb104ff
- a quick fix for the preveous commit · 5ec7d6ae
  Uliana Alekseeva authored Jan 17, 2019
  
  5ec7d6ae
16 Jan, 2019 4 commits
- MPI parallelization in cdnmt · 4fb84d1b
  Uliana Alekseeva authored Jan 16, 2019
  
  4fb84d1b
- REDUCE (onto pe 0) changed to ALLREDUCE for some data in mpi_col_den · d14c6f72
  Uliana Alekseeva authored Jan 16, 2019
  
  d14c6f72
- An output was commented out, because the subroutine orbmom2 is now used in parallel. · f71adbd4
  Uliana Alekseeva authored Jan 16, 2019
  
  f71adbd4
- Fix polar plotting feature switch · 65e7bc60
  Gregor Michalicek authored Jan 16, 2019
  
  65e7bc60
15 Jan, 2019 2 commits
- Remove spaces from plot file names · 2b969166
  Gregor Michalicek authored Jan 15, 2019
  
  2b969166
- all MPI procs now call cdnmt.f90 · 2b90c99b
  Uliana Alekseeva authored Jan 15, 2019
  
  2b90c99b