Commits · be85e5a193c8009506ff571a99df0d4accff5c39 · fleur / fleur · GitLab

17 Apr, 2018 4 commits
- Remove opening of enpara file in main/cdngen.F90 · be85e5a1
  Gregor Michalicek authored Apr 17, 2018
  
  be85e5a1
- Solve strange problem for ifort 18 debugging mode in mpi/mpi_col_den.F90 · 45deb77b
  Gregor Michalicek authored Apr 17, 2018
  
  45deb77b
- Make forcetheo allocatable in init/postprocessInput.F90 · 7b99468d
  Gregor Michalicek authored Apr 17, 2018
```
...bugfix for debug mode as suggested by Daniel.
```
  7b99468d
- Introduce t_regionCharges type to cdn/cdnval.F90 · 8ee7d48f
  Gregor Michalicek authored Apr 17, 2018
  
  8ee7d48f
16 Apr, 2018 1 commit
- Introduce new genMTBasis subroutine · e89fd760
  Gregor Michalicek authored Apr 16, 2018
  
  e89fd760
13 Apr, 2018 7 commits
- Add an initialization in types/types_cdnval.f90 · 0304c478
  Gregor Michalicek authored Apr 13, 2018
  
  0304c478
- Comment out OpenMP parallelization in vgen/mpmom.F90 · 415885af
  Gregor Michalicek authored Apr 13, 2018
```
...it lead to erroneous behavior when ifort was used. I don't know
whether there is a bug in that OpenMP parallelization or if this
is a compiler error.
```
  415885af
- Introduce t_mcd type to cdn/cdnval.F90 · 1737a5bf
  Gregor Michalicek authored Apr 13, 2018
  
  1737a5bf
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · aea50b04
  Gregor Michalicek authored Apr 13, 2018
  
  aea50b04
- 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
- Bugfixes for forcetheorem part · 294af201
  Daniel Wortmann authored Apr 13, 2018
  
  294af201
- Bugfix in DMI code · 1a19b942
  Daniel Wortmann authored Apr 13, 2018
  
  1a19b942
12 Apr, 2018 5 commits
- Bugfix for last commit · 2d192b95
  Gregor Michalicek authored Apr 12, 2018
  
  2d192b95
- Introduce init subroutine for t_zMat type · d16ed0d9
  Gregor Michalicek authored Apr 12, 2018
  
  d16ed0d9
- Introduce t_eigVecCoeffs type to cdn/cdnval.F90 - part 2 · dd4f73fb
  Gregor Michalicek authored Apr 12, 2018
  
  dd4f73fb
- Updated the xml Schema for input and made severl adjustments to force theorem code. · 78af809c
  Daniel Wortmann authored Apr 12, 2018
  
  78af809c
- Update .gitlab-ci.yml to get green marks... · a4ea4aa9
  Daniel Wortmann authored Apr 12, 2018
  
  a4ea4aa9
11 Apr, 2018 5 commits
- Introduction of t_eigVecCoeffs type to cdn/cdnval.F90 - part 1 · 8c05f82e
  Gregor Michalicek authored Apr 11, 2018
  
  8c05f82e
- Introduce t_slab type to cdn/cdnval.F90 · 329bfac7
  Gregor Michalicek authored Apr 11, 2018
  
  329bfac7
- Bugfix for segmentation fault in abclocdn call · 0ca1d03d
  Gregor Michalicek authored Apr 11, 2018
  
  0ca1d03d
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f6a5ac87
  Daniel Wortmann authored Apr 11, 2018
  
  f6a5ac87
- Modified Schema and xml IO for new forcetheorem feature · 913ced1e
  Daniel Wortmann authored Apr 11, 2018
  
  913ced1e
10 Apr, 2018 9 commits
- Introduce t_force type to cdn/cdnval.F90 · e99aaa5f
  Gregor Michalicek authored Apr 10, 2018
  
  e99aaa5f
- Small cleanup in types/types_misc.F90 · bf160b72
  Gregor Michalicek authored Apr 10, 2018
  
  bf160b72
- Introduce some more types to cdn/cdnval.F90 · 1d247030
  Gregor Michalicek authored Apr 10, 2018
  
  1d247030
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 5fbb6a4b
  Daniel Wortmann authored Apr 10, 2018
  
  5fbb6a4b
- Fixed problems with enpara-type and mixing of enpara... · 5d34c6f7
  Daniel Wortmann authored Apr 10, 2018
  
  5d34c6f7
- 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 3 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