Commits · fc844bf34ca86071789989f47714c8eae3194898 · fleur / fleur · GitLab

20 Aug, 2018 1 commit
- Fix wrong size of zmat in hybrid/hf_setup.F90 · fc844bf3
  Gregor Michalicek authored Aug 20, 2018
  
  fc844bf3
17 Aug, 2018 1 commit
- libxc LDA test · deccfe43
  Matthias Redies authored Aug 17, 2018
  
  deccfe43
16 Aug, 2018 2 commits
- Bugfix in test for presence of HDF5 library, should fix #174 · 6573405d
  Daniel Wortmann authored Aug 16, 2018
  
  6573405d
- Apply posScale to kpoints directly upon readin as kpoints routine is not always called. · 1c9c79cd
  Daniel Wortmann authored Aug 16, 2018
```
Fixes #45
```
  1c9c79cd
15 Aug, 2018 3 commits
- bugfix for bugfix. Now closes #171 · 526575b7
  Daniel Wortmann authored Aug 15, 2018
  
  526575b7
- Fix in LO part for systems with second variation SOC&Inversion. Partly fixes #171 · e8a8d6c4
  Daniel Wortmann authored Aug 15, 2018
  
  e8a8d6c4
- Small fix in syntax to make PGI compiler more happy... · 5def5f50
  Daniel Wortmann authored Aug 15, 2018
  
  5def5f50
14 Aug, 2018 3 commits
- Bugfix: Calculate stepfunction also if sliceplot%iplot is true · 72b9a18e
  Gregor Michalicek authored Aug 14, 2018
```
...it is needed for the qfix call in optional/pldngen.
```
  72b9a18e
- enpara.f90 is needed for inpgen · 60c0f1c8
  Matthias Redies authored Aug 14, 2018
  
  60c0f1c8
- Deleted unused files, Fixes #177 · 176226ca
  Daniel Wortmann authored Aug 14, 2018
  
  176226ca
13 Aug, 2018 3 commits
- now it know about comments · ad511e1d
  Matthias Redies authored Aug 13, 2018
  
  ad511e1d
- script to identify dead code · 1e449d0e
  Matthias Redies authored Aug 13, 2018
  
  1e449d0e
- this file is not compiled · cbd42731
  Matthias Redies authored Aug 13, 2018
  
  cbd42731
10 Aug, 2018 9 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 0d690f3a
  S.Rost authored Aug 10, 2018
  
  0d690f3a
- corrected unfold band output - taking into account fermi energy · 8b4abff6
  S.Rost authored Aug 10, 2018
  
  8b4abff6
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 76cf0b83
  Daniel Wortmann authored Aug 10, 2018
  
  76cf0b83
- Fixed tests 22&29 to Fix #176 · 1feb910c
  Daniel Wortmann authored Aug 10, 2018
  
  1feb910c
- deleted eps_kpt from unfolding band because it is not needed anymore · ebc9fdb0
  S.Rost authored Aug 10, 2018
  
  ebc9fdb0
- corrected a wrong insertion in kpoints · 747c8bc3
  S.Rost authored Aug 10, 2018
  
  747c8bc3
- Delete types_rcmat.F90 Fixes #175 · 75fedacd
  Daniel Wortmann authored Aug 10, 2018
  
  75fedacd
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · e542ca9f
  Daniel Wortmann authored Aug 10, 2018
  
  e542ca9f
- Bugfix in LO part. Should hopefully fix issues #173 #169 #168. @rost please... · 82cb680f
  Daniel Wortmann authored Aug 10, 2018
```
Bugfix in LO part. Should hopefully fix issues #173 #169 #168. @rost please verify and close issues.
```
  82cb680f
09 Aug, 2018 12 commits
- Small bugfix to make results%ef available for the band unfolding code · 71c97298
  Gregor Michalicek authored Aug 09, 2018
  
  71c97298
- Merge branch 'develop' of juGitLab:fleur/fleur into develop · 695aa0f7
  Stefan Rost authored Aug 09, 2018
  
  695aa0f7
- added support for kpts list in unfold band · 1a445396
  Stefan Rost authored Aug 09, 2018
  
  1a445396
- change mt_grid interface to match that of pw_grid · c0ce42aa
  Matthias Redies authored Aug 09, 2018
  
  c0ce42aa
- it seems 'types_xcpot.F90' is old an obandoned · 19c9dac3
  Matthias Redies authored Aug 09, 2018
  
  19c9dac3
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 73771b87
  Daniel Wortmann authored Aug 09, 2018
  
  73771b87
- Second bugfix for #172 · 174bc761
  Daniel Wortmann authored Aug 09, 2018
  
  174bc761
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 1726f97f
  Matthias Redies authored Aug 09, 2018
  
  1726f97f
- added is_MetaGGA check · 3e7fc2ad
  Matthias Redies authored Aug 09, 2018
  
  3e7fc2ad
- Give more info on failed diagonalization · 507ce9a2
  Daniel Wortmann authored Aug 09, 2018
  
  507ce9a2
- Modified init routine to not attach signal handler in case of call with -debugtime to enable · 519f5bb3
  Daniel Wortmann authored Aug 09, 2018
```
the generation of tracebacks...
```
  519f5bb3
- First bugfix for #172 · d2e6d06b
  Daniel Wortmann authored Aug 09, 2018
  
  d2e6d06b
08 Aug, 2018 1 commit
- reversed adding eps so that error at K point for hcp occures · 41efcb0d
  S.Rost authored Aug 08, 2018
  
  41efcb0d
07 Aug, 2018 5 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · be4e4c69
  S.Rost authored Aug 07, 2018
  
  be4e4c69
- fully working for hcp 3x3x1, without backfolded kpts path and with an eps to... · 5d3b4879
  S.Rost authored Aug 07, 2018
```
fully working for hcp 3x3x1, without backfolded kpts path and with an eps to avoid high symmetry points
```
  5d3b4879
- unused variable · b23b8550
  Matthias Redies authored Aug 07, 2018
  
  b23b8550
- replace cycle with if-branche · b5d3518d
  Matthias Redies authored Aug 07, 2018
  
  b5d3518d
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f5bfd887
  Matthias Redies authored Aug 07, 2018
  
  f5bfd887