Commits · develop · fleur / fleur

08 Apr, 2020 5 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 38fb8826
  Matthias Redies authored Apr 08, 2020
  
  38fb8826
- use dgemm for matrix vector product · 7584e2ae
  Matthias Redies authored Apr 08, 2020
  
  7584e2ae
- $MPICXX added to CLAIX.sh · d83d546d
  Uliana Alekseeva authored Apr 08, 2020
  
  d83d546d
- HAWK config file · b27dec2f
  Uliana Alekseeva authored Apr 08, 2020
  
  b27dec2f
- tiny fixes · 58ec579f
  Matthias Redies authored Apr 08, 2020
  
  58ec579f
07 Apr, 2020 1 commit
- rewrite reorder routine · 28046878
  Matthias Redies authored Apr 07, 2020
  
  28046878
06 Apr, 2020 10 commits
- reorder get's its own file! · 0790e983
  Matthias Redies authored Apr 06, 2020
  
  0790e983
- fix bug · 69ab1b61
  Matthias Redies authored Apr 06, 2020
  
  69ab1b61
- remove packed storage from coulomb · b421897c
  Matthias Redies authored Apr 06, 2020
  
  b421897c
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 9a6f05cf
  Gregor Michalicek authored Apr 06, 2020
  
  9a6f05cf
- Cleanup of last MAGMA commit, last commit has now been tested · a9dc8004
  Gregor Michalicek authored Apr 06, 2020
  
  a9dc8004
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 62ef847e
  Matthias Redies authored Apr 06, 2020
  
  62ef847e
- try to be less mem-intense · 6afff1d2
  Matthias Redies authored Apr 06, 2020
  
  6afff1d2
- First try to get MAGMA working with real matrices (not tested yet) · 31e8c75d
  Gregor Michalicek authored Apr 06, 2020
  
  31e8c75d
- Merge branch 'coulomb_mpi' into 'develop' · 588a522f
  Matthias Redies authored Apr 06, 2020
```
Coulomb mpi

See merge request fleur/fleur!88
```
  588a522f
- bug fixes for mpi hyb · 010a37b6
  Matthias Redies authored Apr 06, 2020
  
  010a37b6
05 Apr, 2020 7 commits
- remove debugging output · 0c155773
  Matthias Redies authored Apr 05, 2020
  
  0c155773
- drop unused variable · 0e512e3e
  Matthias Redies authored Apr 05, 2020
  
  0e512e3e
- move loop to main routine · f5efec6e
  Matthias Redies authored Apr 05, 2020
  
  f5efec6e
- perform inverse without packed · 31b5feb0
  Matthias Redies authored Apr 05, 2020
  
  31b5feb0
- move packed even more · bdccd01f
  Matthias Redies authored Apr 05, 2020
  
  bdccd01f
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · ca5ca662
  Matthias Redies authored Apr 05, 2020
  
  ca5ca662
- remove dead code · 5d1301db
  Matthias Redies authored Apr 05, 2020
  
  5d1301db
03 Apr, 2020 14 commits
- Update types_input.f90 · c78f80e1
  Frank Freimuth authored Apr 03, 2020
  
  c78f80e1
- Update FleurInputSchema.xsd · a968395d
  Frank Freimuth authored Apr 03, 2020
  
  a968395d
- move packed more (almost done) · 64226883
  Matthias Redies authored Apr 03, 2020
  
  64226883
- Fix for FFN+LDA+U · a3251b63
  Henning Janssen authored Apr 03, 2020
```
 -uncomment calculation of offdiagonal scalar products
```
  a3251b63
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · bffad066
  Uliana Alekseeva authored Apr 03, 2020
  
  bffad066
- magma routine wich should compile (better) · 842b30c8
  Uliana Alekseeva authored Apr 03, 2020
  
  842b30c8
- Update types_input.f90 · ab4353b4
  Frank Freimuth authored Apr 03, 2020
  
  ab4353b4
- Update fleur.F90 · 8e0bb681
  Frank Freimuth authored Apr 03, 2020
  
  8e0bb681
- Update types_input.f90 · 7f372e68
  Frank Freimuth authored Apr 03, 2020
  
  7f372e68
- Update types_input.f90 · 5f5ef087
  Frank Freimuth authored Apr 03, 2020
  
  5f5ef087
- Update types_input.f90 · d9b60e75
  Frank Freimuth authored Apr 03, 2020
  
  d9b60e75
- Typos... · 16321d0b
  Robin Hilgers authored Apr 03, 2020
  
  16321d0b
- Missed index.. · 7ca10ef1
  Robin Hilgers authored Apr 03, 2020
  
  7ca10ef1
- This might be solving some minor FFN related things we observed when testing... · 5822bb0c
  Robin Hilgers authored Apr 03, 2020
```
This might be solving some minor FFN related things we observed when testing FFN with rotated starting densities.... 
```
  5822bb0c
02 Apr, 2020 3 commits
- Merge branch 'FFN+LO' into 'develop' · d516306b
  Robin Hilgers authored Apr 02, 2020
```
Improved LO's using fully fully noco

See merge request fleur/fleur!87
```
  d516306b
- Also adapted the non-failing value to be more precise... · 15b4ccdf
  Robin Hilgers authored Apr 02, 2020
  
  15b4ccdf
- Update test.run1 to correct angle for new FFN+LO changes... · 8061fc69
  Robin Hilgers authored Apr 02, 2020
  
  8061fc69