Commits · 77d9870aa6a58fd9707cbe434d5a2551703bee12 · fleur / fleur

11 Nov, 2019 2 commits
- try to do some intel-segfault mitigation · 77d9870a
  Matthias Redies authored Nov 11, 2019
  
  77d9870a
- Revert "this doesn't work but tomorrow is homeoffice" · ab7dfbf6
  Matthias Redies authored Nov 11, 2019
```
This reverts commit adc0800b.
```
  ab7dfbf6
07 Nov, 2019 19 commits
- this doesn't work but tomorrow is homeoffice · adc0800b
  Matthias Redies authored Nov 07, 2019
  
  adc0800b
- move radbasfn_mt to mpbasis · e2d28800
  Matthias Redies authored Nov 07, 2019
  
  e2d28800
- handle unallocated arrays · cdeed598
  Matthias Redies authored Nov 07, 2019
  
  cdeed598
- move trafo to ortho normal basis to routine · c48d873f
  Matthias Redies authored Nov 07, 2019
  
  c48d873f
- try to fix previous commit · 25cf1be9
  Matthias Redies authored Nov 07, 2019
  
  25cf1be9
- filter radial basis functions by overlap in subroutine · 10b47e6c
  Matthias Redies authored Nov 07, 2019
  
  10b47e6c
- calculate olap in subroutine · f7ed3689
  Matthias Redies authored Nov 07, 2019
  
  f7ed3689
- fix previous commit & change allocates to source · 0c1e54f5
  Matthias Redies authored Nov 07, 2019
  
  0c1e54f5
- typo · 46afdcc8
  Matthias Redies authored Nov 07, 2019
  
  46afdcc8
- move norm to function · c3f2e564
  Matthias Redies authored Nov 07, 2019
  
  c3f2e564
- formating fetish · 94505b77
  Matthias Redies authored Nov 07, 2019
  
  94505b77
- remove unused & rename i -> i_basfn · 5e2e56fd
  Matthias Redies authored Nov 07, 2019
  
  5e2e56fd
- remove cycle & i -> i_basfn · 3842e39c
  Matthias Redies authored Nov 07, 2019
  
  3842e39c
- and close the bracket · 6bf2ea88
  Matthias Redies authored Nov 07, 2019
  
  6bf2ea88
- use function for selecmat · 1e18ae0d
  Matthias Redies authored Nov 07, 2019
  
  1e18ae0d
- rename basm1 -> radbasfn_mt · 9ee9c3a6
  Matthias Redies authored Nov 07, 2019
  
  9ee9c3a6
- rename n => n_radbasfn · 14eaeae8
  Matthias Redies authored Nov 07, 2019
  
  14eaeae8
- gird => grid · 09b415f6
  Matthias Redies authored Nov 07, 2019
  
  09b415f6
- improve alloc and rename ng -> n_gird_pt · d289a97a
  Matthias Redies authored Nov 07, 2019
  
  d289a97a
06 Nov, 2019 15 commits
- Merge branch 'develop' into hybrid_purge · 2520741b
  Matthias Redies authored Nov 06, 2019
  
  2520741b
- improve formating · b87542c7
  Matthias Redies authored Nov 06, 2019
  
  b87542c7
- fix move to mpbasis · fefac81f
  Matthias Redies authored Nov 06, 2019
  
  fefac81f
- move num_rad_bas_fun to mpbasis · c9bbcebb
  Matthias Redies authored Nov 06, 2019
  
  c9bbcebb
- rename nindxm1 => num_rad_bas_fun · 1c648aed
  Matthias Redies authored Nov 06, 2019
  
  1c648aed
- fix move to function · b6009502
  Matthias Redies authored Nov 06, 2019
  
  b6009502
- fix commit · 388d52bc
  Matthias Redies authored Nov 06, 2019
  
  388d52bc
- fix fix-commit · ffd3b666
  Matthias Redies authored Nov 06, 2019
  
  ffd3b666
- fix fix-commit · 15e5b518
  Matthias Redies authored Nov 06, 2019
  
  15e5b518
- fix fix-commit · 16a0e0e8
  Matthias Redies authored Nov 06, 2019
  
  16a0e0e8
- fix fix-commit · a0aea6ad
  Matthias Redies authored Nov 06, 2019
  
  a0aea6ad
- fix commit · 9b79e639
  Matthias Redies authored Nov 06, 2019
  
  9b79e639
- move set_selecmat to seperate routine · 46618f83
  Matthias Redies authored Nov 06, 2019
  
  46618f83
- Added charge density convergence as criterion to start new relaxation step. Fixes #318 · 7bf0e010
  Daniel Wortmann authored Nov 06, 2019
  
  7bf0e010
- remove some output · 9c7a1e7b
  Matthias Redies authored Nov 06, 2019
  
  9c7a1e7b
05 Nov, 2019 3 commits
- Update wann_convert_fleur_w90.F90 · a4b8e896
  Frank Freimuth authored Nov 05, 2019
  
  a4b8e896
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · aeb11bbb
  Daniel Wortmann authored Nov 05, 2019
  
  aeb11bbb
- Fixed linear mixing of LDA+U density matrix in parallel case. Should fix #303 · 25e2bbda
  Daniel Wortmann authored Nov 05, 2019
  
  25e2bbda
04 Nov, 2019 1 commit

Add spin dimension to hybrid%nobd array · 14ec1a50

Gregor Michalicek authored Nov 04, 2019

This is required in comparison to the ancient fleur version because
now this array is used in different spin loops.

14ec1a50