Commits · 4e99a8136a33f60fecdbed0d698e48ded0fe93e7 · fleur / fleur · GitLab

20 Dec, 2019 14 commits
- Merge remote-tracking branch 'origin/develop' into develop · 4e99a813
  Henning Janssen authored Dec 20, 2019
  
  4e99a813
- Added some more initializations · e087d8c6
  Henning Janssen authored Dec 20, 2019
  
  e087d8c6
- Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop · 3610f889
  Robin Hilgers authored Dec 20, 2019
  
  3610f889
- PBE delivers now correct off-diagonal elements in FFN case. Convergence is still somewhat poor. · e89459a7
  Robin Hilgers authored Dec 20, 2019
  
  e89459a7
- This appears to be uninitialized in valgrind, so i gave it some initialization. · a87470ea
  Matthias Redies authored Dec 20, 2019
  
  a87470ea
- Merge branch 'init_hybrid' into 'develop' · 4d899eac
  Matthias Redies authored Dec 20, 2019
```
add some initialization to hybrid type

See merge request fleur/fleur!57
```
  4d899eac
- i can't merge anything with broken tests · 231db28f
  Matthias Redies authored Dec 20, 2019
  
  231db28f
- Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop · 4c9c1f95
  Robin Hilgers authored Dec 20, 2019
  
  4c9c1f95
- Fixed GGA with FFN somehow · 488d7065
  Robin Hilgers authored Dec 20, 2019
  
  488d7065
- Merge branch 'develop' into 'init_hybrid' · 49bc7735
  Matthias Redies authored Dec 20, 2019
```
# Conflicts:
#   tests/tests_old.cmake
```
  49bc7735
- can't merge with broken tests · a6caabb9
  Matthias Redies authored Dec 20, 2019
  
  a6caabb9
- add some initialization to hybrid type · 966d5a3a
  Matthias Redies authored Dec 20, 2019
  
  966d5a3a
- Merge remote-tracking branch 'origin/develop' into develop · 364bb44e
  Henning Janssen authored Dec 20, 2019
  
  364bb44e
- added some initialisations and cleaned up the hubbard1/gf part of t_atoms · e926d758
  Henning Janssen authored Dec 20, 2019
  
  e926d758
19 Dec, 2019 26 commits
- Absolute last try for today to fix this test. · 46826d28
  Robin Hilgers authored Dec 19, 2019
  
  46826d28
- Found another inconsistent l_real switch · 00ecb357
  Henning Janssen authored Dec 19, 2019
  
  00ecb357
- Last try for today to fix this test. · cc5c6ffd
  Robin Hilgers authored Dec 19, 2019
  
  cc5c6ffd
- Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop · 10c12468
  Robin Hilgers authored Dec 19, 2019
  
  10c12468
- Somehow the test works on my machine... · 1f20e7a9
  Robin Hilgers authored Dec 19, 2019
  
  1f20e7a9
- Merge remote-tracking branch 'origin/develop' into develop · 302ec059
  Henning Janssen authored Dec 19, 2019
  
  302ec059
- Fixed formatting and beautified n_mat · 9a0a18f4
  Henning Janssen authored Dec 19, 2019
  
  9a0a18f4
- Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop · 414af61e
  Robin Hilgers authored Dec 19, 2019
  
  414af61e
- Now.. this should do the job with the test. · c0a8cc91
  Robin Hilgers authored Dec 19, 2019
  
  c0a8cc91
- Merge remote-tracking branch 'origin/develop' into develop · 87c69915
  Henning Janssen authored Dec 19, 2019
  
  87c69915
- Remove temporary error message · a8e87383
  Henning Janssen authored Dec 19, 2019
  
  a8e87383
- corrected LDA+U array dimension to atoms%n_u+atoms%n_hia · f8c9f17c
  Henning Janssen authored Dec 19, 2019
```
and readded one LDA+U+SOC => complex eigenvalues condition at one place
```
  f8c9f17c
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 9fdfda5c
  Matthias Redies authored Dec 19, 2019
  
  9fdfda5c
- fix indentation (christmas edition) · 3d206864
  Matthias Redies authored Dec 19, 2019
  
  3d206864
- Fixed formatting and beautified n_mat21 · c7311395
  Henning Janssen authored Dec 19, 2019
  
  c7311395
- Corrected sensitivity of test... part 2 · 841d3363
  Robin Hilgers authored Dec 19, 2019
  
  841d3363
- Corrected sensitivity of test... · 3518723f
  Robin Hilgers authored Dec 19, 2019
  
  3518723f
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · be5a6c48
  Matthias Redies authored Dec 19, 2019
  
  be5a6c48
- Merge branch 'use_round_to_deci' into 'develop' · 4ac59e11
  Matthias Redies authored Dec 19, 2019
```
Use round to deci

See merge request fleur/fleur!56
```
  4ac59e11
- Renamed test so it's structure is matching the one given in the name. · 374b3b34
  Robin Hilgers authored Dec 19, 2019
  
  374b3b34
- Added test for flipcdn · 817fc213
  Robin Hilgers authored Dec 19, 2019
  
  817fc213
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 958e3edc
  Matthias Redies authored Dec 19, 2019
  
  958e3edc
- fix commit · cad84982
  Matthias Redies authored Dec 19, 2019
  
  cad84982
- use rounding function · 1f6fcdd9
  Matthias Redies authored Dec 19, 2019
  
  1f6fcdd9
- Merge branch 'FullyFullyBugfix' into 'develop' · 3ba2e29a
  Robin Hilgers authored Dec 19, 2019
```
Bugs in FullyFully noco LDA fixed

See merge request fleur/fleur!55
```
  3ba2e29a
- PTOXML should be fixed now.. · 7aa80a1e
  Robin Hilgers authored Dec 19, 2019
  
  7aa80a1e