Commits · 46afdcc8c973bed585790a6862138858ebd4f69e · fleur / fleur

07 Nov, 2019 11 commits
- 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

31 Oct, 2019 8 commits
- move output to type · 979648b3
  Matthias Redies authored Oct 31, 2019
  
  979648b3
- make *gptm1 a local coulomb thing · 8b56394b
  Matthias Redies authored Oct 31, 2019
  
  8b56394b
- allocate in coulombmtx now · f0ed051a
  Matthias Redies authored Oct 31, 2019
  
  f0ed051a
- fix last commit · 6c8d7887
  Matthias Redies authored Oct 31, 2019
  
  6c8d7887
- remove unnecessary pgptm1 stuff · b6b4c07c
  Matthias Redies authored Oct 31, 2019
  
  b6b4c07c
- introduce norm2 · 284b4a1f
  Matthias Redies authored Oct 31, 2019
  
  284b4a1f
- Revert "whats in pgptm1" · 96dd78ed
  Matthias Redies authored Oct 31, 2019
```
This reverts commit 53078cbe.
```
  96dd78ed
- whats in pgptm1 · 53078cbe
  Matthias Redies authored Oct 31, 2019
  
  53078cbe
30 Oct, 2019 2 commits
- make gen_gvec a class routine · c0d1716b
  Matthias Redies authored Oct 30, 2019
  
  c0d1716b
- moved gen_gvec to type · 4913ec1a
  Matthias Redies authored Oct 30, 2019
  
  4913ec1a