Commits · develop · Henning Janssen / fleur

03 May, 2022 5 commits
- Remove print of runtime environment variables in test system · 738d06b9
  Henning Janssen authored May 03, 2022
```
This should never be done by default. On the CI this can potentially
print sensitive keys to the ci job log.
Since the jobs are not public it is not a big deal
```
  738d06b9
- Fix version number · f3c75325
  Henning Janssen authored May 03, 2022
  
  f3c75325
- Add switch for excluding non-spherical contributions to orbitals with DFT+U · 566fa3d3
  Henning Janssen authored May 03, 2022
  
  566fa3d3
- Raise Fleur file schema version to 0.36 · 4ac0cb56
  Henning Janssen authored May 03, 2022
  
  4ac0cb56
- Merge branch 'strgn' into 'develop' · 48ee7f95
  Daniel Wortmann authored May 03, 2022
```
Make Convergence test less sensitive

See merge request fleur/fleur!207
```
  48ee7f95
02 May, 2022 4 commits
- Merge branch 'develop' of iffgit:/fleur/fleur into develop · 462fa9a2
  Daniel Wortmann authored May 02, 2022
  
  462fa9a2
- Minimal refactoring of vvac · 40eda20b
  Daniel Wortmann authored May 02, 2022
  
  40eda20b
- Bugfix in inpgen2/check_mt_radii.f90 · 11f5c0f2
  Gregor Michalicek authored May 02, 2022
```
The bug lead to too large MT radii. See issue #678.
```
  11f5c0f2
- Make Convergence test less sensitive · 3f60f5a5
  Daniel Wortmann authored May 02, 2022
  
  3f60f5a5
29 Apr, 2022 5 commits
- Merge branch 'strgn' into 'develop' · 79fd0997
  Daniel Wortmann authored Apr 29, 2022
```
Merge branch in which star generator and star type was refactored

See merge request fleur/fleur!205
```
  79fd0997
- Merge branch 'develop' into 'strgn' · d423a9e5
  Daniel Wortmann authored Apr 29, 2022
```
# Conflicts:
#   types/types_fftGrid.f90
```
  d423a9e5
- Test Adjustments and bugfixes · 9216cd27
  Daniel Wortmann authored Apr 29, 2022
  
  9216cd27
- MPI Deadlock fixed · a379c928
  Daniel Wortmann authored Apr 29, 2022
  
  a379c928
- Adjust libxc test · 497780d8
  Daniel Wortmann authored Apr 29, 2022
  
  497780d8
28 Apr, 2022 5 commits
- Test adjustment · c763a3bf
  Daniel Wortmann authored Apr 28, 2022
  
  c763a3bf
- Fixes for HDF5 version · aed07e68
  Daniel Wortmann authored Apr 28, 2022
  
  aed07e68
- Test adjustments · d754b68f
  Daniel Wortmann authored Apr 28, 2022
  
  d754b68f
- Small bugfixes · a7f0e59d
  Daniel Wortmann authored Apr 28, 2022
  
  a7f0e59d
- Remove dependency from od modules · c576a63f
  Daniel Wortmann authored Apr 28, 2022
  
  c576a63f
27 Apr, 2022 2 commits
- Merge branch 'juPhon/DFPT' into 'develop' · b44aa77e
  Alexander Neukirchen authored Apr 27, 2022
```
Juphon/dfpt to dev

See merge request fleur/fleur!203
```
  b44aa77e
- Juphon/dfpt to dev · 68ad957b
  Alexander Neukirchen authored Apr 27, 2022
  
  68ad957b
26 Apr, 2022 2 commits
- Remove unsued loop that prevents compilation · 457bb725
  Daniel Wortmann authored Apr 26, 2022
  
  457bb725
- Remove ft2_gfx from HDF IO · ea23cb2f
  Daniel Wortmann authored Apr 26, 2022
  
  ea23cb2f
21 Apr, 2022 4 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 8895136e
  Daniel Wortmann authored Apr 21, 2022
  
  8895136e
- Updated ford docu · 508d0682
  Daniel Wortmann authored Apr 21, 2022
  
  508d0682
- Thanks @micha · e9e8d2fb
  Robin Hilgers authored Apr 21, 2022
  
  e9e8d2fb
- Introduce more precise error-messages · 22ec661f
  Robin Hilgers authored Apr 21, 2022
  
  22ec661f
14 Apr, 2022 1 commit
- Specification of k-point density in precision profiles · 3d8da6b0
  Gregor Michalicek authored Apr 14, 2022
  
  3d8da6b0
08 Apr, 2022 5 commits
- Add missing output in alternative fertri and fertetra code paths · 33f8a119
  Gregor Michalicek authored Apr 08, 2022
  
  33f8a119
- Fix wrong output of sum of eigenvalues in SOC case · dd3ce146
  Gregor Michalicek authored Apr 08, 2022
  
  dd3ce146
- Eliminate results%seigsc and %results%seigscv · 48248650
  Gregor Michalicek authored Apr 08, 2022
```
results%seigv replaces results%seigscv. results%seigsc always was 0.0.
```
  48248650
- Decouple oxides validation profile from other profiles · 52649910
  Gregor Michalicek authored Apr 08, 2022
  
  52649910
- Merge remote-tracking branch 'origin/develop' into strgn · 5874820a
  Daniel Wortmann authored Apr 08, 2022
  
  5874820a
07 Apr, 2022 1 commit
- Changes due to update of t_stars · ff5e7d6a
  Daniel Wortmann authored Apr 07, 2022
  
  ff5e7d6a
01 Apr, 2022 4 commits
- Merge branch 'juPhon/DFPT' into 'develop' · 3f84f373
  Alexander Neukirchen authored Apr 01, 2022
```
Juphon/dfpt to dev

See merge request fleur/fleur!202
```
  3f84f373
- Put two more digits in output of eigenvalue sum in MAE calculations · e27f5060
  Gregor Michalicek authored Apr 01, 2022
  
  e27f5060
- Update dfpt_TODO.txt · 3b6d67b5
  Alexander Neukirchen authored Apr 01, 2022
  
  3b6d67b5
- DFPT eigenstuff · 88960a9a
  Alexander Neukirchen authored Apr 01, 2022
  
  88960a9a
31 Mar, 2022 2 commits
- Fix. · e3de0257
  Alexander Neukirchen authored Mar 31, 2022
  
  e3de0257
- Do not need this anymore. · 1f4bb10b
  Alexander Neukirchen authored Mar 31, 2022
  
  1f4bb10b