Commits · cbf3c4d57dd42a8f7278c76279176aeb97ea9403 · fleur / fleur

23 Jan, 2019 1 commit
- adjusted for >999 atoms · cbf3c4d5
  Uliana Alekseeva authored Jan 23, 2019
  
  cbf3c4d5
22 Jan, 2019 2 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
21 Jan, 2019 5 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
- 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 2 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
17 Jan, 2019 6 commits
- postProcess timer added · d686436d
  Uliana Alekseeva authored Jan 17, 2019
  
  d686436d
- 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 3 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
- Timing cdncore added · 1d950897
  Uliana Alekseeva authored Jan 15, 2019
  
  1d950897
14 Jan, 2019 3 commits
- Generalized ELPA 2018 interface set nack · 5a0110c5
  Uliana Alekseeva authored Jan 14, 2019
  
  5a0110c5
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 59dbed39
  Andrea Hanke authored Jan 14, 2019
  
  59dbed39
- Implementation of the EELS double differential cross section integration. · dc8b472e
  Andrea Hanke authored Jan 14, 2019
  
  dc8b472e
13 Jan, 2019 1 commit

Quick fix for the relaxation of the noco alpha and beta angles. · 4e17db7e

Gregor Michalicek authored Jan 13, 2019

...the usage has to be changed at some point. At the moment a
nocoinp file is generated. The noco input from that file overwrites
the noco input in inp.xml

4e17db7e

12 Jan, 2019 1 commit
- First step to re-anable relaxation of noco alpha, beta angles · ac8a3484
  Gregor Michalicek authored Jan 12, 2019
```
...not yet working.
```
  ac8a3484
11 Jan, 2019 5 commits
- privacy notice has been added · 6328eba7
  Matthias Redies authored Jan 11, 2019
  
  6328eba7
- catch if curl fails · b18df968
  Matthias Redies authored Jan 11, 2019
  
  b18df968
- Re-enable the output of an inp.xml file with noco parameters · 0e8ba9cb
  Gregor Michalicek authored Jan 11, 2019
  
  0e8ba9cb
- fix flags · 1c1d890c
  Matthias Redies authored Jan 11, 2019
  
  1c1d890c
- undefined behaviour for i > 20 (gfortran warning) · fc68d279
  Matthias Redies authored Jan 11, 2019
  
  fc68d279
10 Jan, 2019 1 commit
- Now we should get rid of these ghost includes · f7de8dc7
  Matthias Redies authored Jan 10, 2019
  
  f7de8dc7
09 Jan, 2019 2 commits
- bugfix in chase_diag · 64e061b9
  Uliana Alekseeva authored Jan 09, 2019
  
  64e061b9
- made ELPA great again · 275f45b1
  Uliana Alekseeva authored Jan 09, 2019
  
  275f45b1
08 Jan, 2019 4 commits
- added timing for the matrix redestribution · 873645c9
  Uliana Alekseeva authored Jan 08, 2019
  
  873645c9
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 7f1d1be2
  Daniel Wortmann authored Jan 08, 2019
  
  7f1d1be2
- Added code to do IO in fully-fully noco case. HDF5 version still missing.. · e6de5340
  Daniel Wortmann authored Jan 08, 2019
  
  e6de5340
- A private automatic array made allocatable to preven OpenMP stack oversize · 9d5726e3
  Uliana Alekseeva authored Jan 08, 2019
  
  9d5726e3