Commits · f5e77dad24da3c972a1b248dde6a463cd76aee18 · fleur / fleur · GitLab

10 Apr, 2018 4 commits
- Fixed Typo in mpmom · f5e77dad
  Daniel Wortmann authored Apr 10, 2018
  
  f5e77dad
- Fixes to make sure occupations are used correctly in starting density generation · 01525471
  Daniel Wortmann authored Apr 10, 2018
  
  01525471
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · c2013add
  Daniel Wortmann authored Apr 10, 2018
  
  c2013add
- Bugfix in mpi_bc_all · cf80e0e4
  Daniel Wortmann authored Apr 10, 2018
  
  cf80e0e4
09 Apr, 2018 3 commits
- Remove some debug output from eigen/eigen.F90 · 685b0598
  Gregor Michalicek authored Apr 09, 2018
  
  685b0598
- Fix for a minor syntax problem in juDFT/usage_data.F90 · 72f5d8d8
  Gregor Michalicek authored Apr 09, 2018
  
  72f5d8d8
- Separated off code for old inp-files+Bugfixes · 9525c2e9
  Daniel Wortmann authored Apr 09, 2018
  
  9525c2e9
05 Apr, 2018 3 commits
- Bugfixes for MPI part · 5589f8b8
  Daniel Wortmann authored Apr 05, 2018
  
  5589f8b8
- Bugfixes in enpara handling... · b9c27918
  Daniel Wortmann authored Apr 05, 2018
  
  b9c27918
- Bugfix:Update initParallelProcesses.F90 · e223c574
  Daniel Wortmann authored Apr 05, 2018
  
  e223c574
04 Apr, 2018 5 commits
- Bugfix:Update Files_and_Targets.txt · 5bab5416
  Daniel Wortmann authored Apr 04, 2018
  
  5bab5416
- Refactored enpara datatype to include lodpot and io functionality · 75a8b20f
  Daniel Wortmann authored Apr 04, 2018
  
  75a8b20f
- Typo in last commit · 3ca52c4f
  Daniel Wortmann authored Apr 04, 2018
  
  3ca52c4f
- Bugfix for inpgen:Update Files_and_Targets.txt · 0730f329
  Daniel Wortmann authored Apr 04, 2018
  
  0730f329
- Bugfix for MPI:Update usage_data.F90 · b91c32dd
  Daniel Wortmann authored Apr 04, 2018
  
  b91c32dd
03 Apr, 2018 4 commits
- Bugfix: Update usage_data.F90 · 41e8b926
  Daniel Wortmann authored Apr 03, 2018
  
  41e8b926
- Added usage tracking module, bugfix in rw_noco · 43f6c58a
  Daniel Wortmann authored Apr 03, 2018
  
  43f6c58a
- Removed jij data-type, added first implementation of further force-theorem... · 9d9906c2
  Daniel Wortmann authored Apr 03, 2018
```
Removed jij data-type, added first implementation of further force-theorem modes, these lack tests&support in xml-shema
```
  9d9906c2
- Bugfix for test 25/26. Use correct spin-index in cdnmt · 6ddaa944
  Daniel Wortmann authored Apr 03, 2018
  
  6ddaa944
29 Mar, 2018 19 commits
- More bugfixes for parallel case · d5508ab6
  Daniel Wortmann authored Mar 29, 2018
  
  d5508ab6
- Bugfix in mpi_dist_forcetheorem.F90 · eaac316a
  Daniel Wortmann authored Mar 29, 2018
  
  eaac316a
- Bugfix for inpgen · c3b5a267
  Daniel Wortmann authored Mar 29, 2018
  
  c3b5a267
- Fix usdus in cdn_mt/cdnmt.f90 · 9ca344cb
  Gregor Michalicek authored Mar 29, 2018
  
  9ca344cb
- Added file missing in 01b9d8b8 · b0aec859
  Daniel Wortmann authored Mar 29, 2018
  
  b0aec859
- Added code to distribute forcetheo in MPI case · 01b9d8b8
  Daniel Wortmann authored Mar 29, 2018
  
  01b9d8b8
- Use usdus%init in cdnval · 4dbf152a
  Gregor Michalicek authored Mar 29, 2018
```
+ bugfix for last commit
```
  4dbf152a
- Delete force/to_pulay.F90 · 5cd55df2
  Gregor Michalicek authored Mar 29, 2018
  
  5cd55df2
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · a7d05019
  Daniel Wortmann authored Mar 29, 2018
  
  a7d05019
- Bugfix for 56f2806b · 1301ad69
  Daniel Wortmann authored Mar 29, 2018
  
  1301ad69
- Introduce new t_orb type in cdn/cdnval.F90 · d3729d47
  Gregor Michalicek authored Mar 29, 2018
  
  d3729d47
- Made phi/theta scalars again. Was a bad idea before... · 56f2806b
  Daniel Wortmann authored Mar 29, 2018
  
  56f2806b
- Included changes in stars into new type-file · 5ac85144
  Daniel Wortmann authored Mar 29, 2018
  
  5ac85144
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f3ecd9e4
  Daniel Wortmann authored Mar 29, 2018
  
  f3ecd9e4
- Changed layout of types, added first implementation of forcetheorem-type for... · 2f1f91a8
  Daniel Wortmann authored Mar 29, 2018
```
Changed layout of types, added first implementation of forcetheorem-type for MAE (test still missing)
```
  2f1f91a8
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 2a3595d9
  Gregor Michalicek authored Mar 29, 2018
  
  2a3595d9
- Move prp_qfft_map call to fleur_init · f6c81798
  Gregor Michalicek authored Mar 29, 2018
```
(Sorry, this commit breaks fleur I will correct it as soon as possible.)
```
  f6c81798
- Bugfix for last commit:Update Files_and_Targets.txt · 66ebe920
  Daniel Wortmann authored Mar 29, 2018
  
  66ebe920
- Started to clean fleur.F and to introduce a feature for general force-theorem calculations · 2ab4d440
  Daniel Wortmann authored Mar 29, 2018
  
  2ab4d440
28 Mar, 2018 2 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 14aa0f3a
  Daniel Wortmann authored Mar 28, 2018
  
  14aa0f3a
- Bugfix in r_inpXML. Reminder: The Schema has to be updated · c4f64811
  Daniel Wortmann authored Mar 28, 2018
  
  c4f64811