Commits · d970cdc8c86f53b2b72b104a86466952b6a479fb · fleur / fleur

25 Apr, 2018 1 commit
- Move some cdnval related timers to the actually associated subroutines · 7fe29d49
  Gregor Michalicek authored Apr 25, 2018
  
  7fe29d49
24 Apr, 2018 3 commits
- Eliminate l_fmpl variable in cdn/cdnval.F90 · 57b086ad
  Gregor Michalicek authored Apr 24, 2018
  
  57b086ad
- More cleanup in cdn/cdnval.F90 · 401d204f
  Gregor Michalicek authored Apr 24, 2018
  
  401d204f
- Minor cleanup in cdn/cdnval.F90 · b7cf3c84
  Gregor Michalicek authored Apr 24, 2018
  
  b7cf3c84
23 Apr, 2018 1 commit
- Bugfixes for MPI part · 600aa2ad
  Daniel Wortmann authored Apr 23, 2018
  
  600aa2ad
17 Apr, 2018 2 commits
- Solve strange problem for ifort 18 debugging mode in mpi/mpi_col_den.F90 · 45deb77b
  Gregor Michalicek authored Apr 17, 2018
  
  45deb77b
- Introduce t_regionCharges type to cdn/cdnval.F90 · 8ee7d48f
  Gregor Michalicek authored Apr 17, 2018
  
  8ee7d48f
13 Apr, 2018 1 commit

Move MCD input to inp.xml (only) · 8327863b

Gregor Michalicek authored Apr 13, 2018

...also in this commit: remove count variable for q vectors in ForceTheorem type in XML Schema

8327863b

10 Apr, 2018 2 commits
- Introduce some more types to cdn/cdnval.F90 · 1d247030
  Gregor Michalicek authored Apr 10, 2018
  
  1d247030
- Bugfix in mpi_bc_all · cf80e0e4
  Daniel Wortmann authored Apr 10, 2018
  
  cf80e0e4
05 Apr, 2018 1 commit
- Bugfixes for MPI part · 5589f8b8
  Daniel Wortmann authored Apr 05, 2018
  
  5589f8b8
03 Apr, 2018 2 commits
- 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
29 Mar, 2018 6 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
- 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
- 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
28 Mar, 2018 3 commits
- Bugfix for 73245850 · 36be5e32
  Daniel Wortmann authored Mar 28, 2018
  
  36be5e32
- Some more bugfix for 3e24dd1b · 7ee29506
  Daniel Wortmann authored Mar 28, 2018
  
  7ee29506
- Next bugfix for commit 3e24dd1b · 30586973
  Daniel Wortmann authored Mar 28, 2018
  
  30586973
16 Mar, 2018 3 commits
- Eliminate potden%cdom · c4fb6bfe
  Gregor Michalicek authored Mar 16, 2018
  
  c4fb6bfe
- Eliminate potden%cdomvz · fb3df010
  Gregor Michalicek authored Mar 16, 2018
  
  fb3df010
- Eliminate potden%cdomvxy · fa58d844
  Gregor Michalicek authored Mar 16, 2018
```
Note: This seems to have introduced some bugs. ...to be corrected soon.
```
  fa58d844
28 Feb, 2018 1 commit
- Update CMakeLists.txt to make MPI version compile · c5858118
  Daniel Wortmann authored Feb 28, 2018
  
  c5858118
26 Feb, 2018 1 commit
- Merge to development branch · da2884ab
  Daniel Wortmann authored Feb 26, 2018
  
  da2884ab
23 Oct, 2017 1 commit
- Fixing some array sizes for potden%mmpMat type arrays · 656bd716
  Gregor Michalicek authored Oct 23, 2017
  
  656bd716
20 Oct, 2017 1 commit
- Move reading of density matrix mixing parameter out of SCF loop · ac51edc4
  Gregor Michalicek authored Oct 20, 2017
  
  ac51edc4
19 Oct, 2017 2 commits
- Remove writing of total and exchange potential to disc in main/vgen.F90 · 2cf89a49
  Gregor Michalicek authored Oct 19, 2017
```
Also in this commit: Removal of mpi/mpi_bc_pot.F90 as it is replaced by mpi/mpi_bc_potden.F90
```
  2cf89a49
- Eliminate disc storage of Coulomb potential · aa4f501a
  Gregor Michalicek authored Oct 19, 2017
  
  aa4f501a
10 Oct, 2017 1 commit
- Made possible arguments on command line longer (from 20 to 1000 chars) · e1e180c5
  Daniel Wortmann authored Oct 10, 2017
  
  e1e180c5
05 Oct, 2017 1 commit
- Move reading of density out of vgen · 5b87fe42
  Gregor Michalicek authored Oct 05, 2017
  
  5b87fe42
26 Sep, 2017 1 commit
- Added missing broadcast of input%l_coreSpec · 0c9c9f3b
  Gregor Michalicek authored Sep 26, 2017
  
  0c9c9f3b
20 Sep, 2017 1 commit
- Some minor bugfixes for MPI + xc changes and MPI + SOC scaling · 637b12ee
  Gregor Michalicek authored Sep 20, 2017
  
  637b12ee
19 Sep, 2017 2 commits
- Fixes to make pbe faster (again after refactoring of xcpot) Changes for... · 4addcb1c
  Daniel Wortmann authored Sep 19, 2017
```
Fixes to make pbe faster (again after refactoring of xcpot) Changes for reanabling old CPP_66 functionality
```
  4addcb1c
- Fixed MPI version. Changes due to refactoring of xcpot data type · 30bec256
  Daniel Wortmann authored Sep 19, 2017
  
  30bec256
14 Sep, 2017 1 commit
- Fixed last commit · 9bbce6c3
  Daniel Wortmann authored Sep 14, 2017
  
  9bbce6c3
11 Sep, 2017 1 commit
- Some bug fixes for fleur_MPI · 0398f39b
  Gregor Michalicek authored Sep 11, 2017
```
(The bugs were somehow introduced due to the inclusion of the hybrid code.)
```
  0398f39b
01 Sep, 2017 1 commit
- First preparations for the introduction of the CPP_600 replacement · 00150313
  Gregor Michalicek authored Sep 01, 2017
  
  00150313