Commits · 917abc43e724c36b7483a8e00604a09e3edfa1da · fleur / fleur

26 Apr, 2018 6 commits
- Bugfix for slice plots and HDF5 · 917abc43
  Gregor Michalicek authored Apr 26, 2018
  
  917abc43
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · ee533762
  Daniel Wortmann authored Apr 26, 2018
  
  ee533762
- Fixed HDF5 IO · c3137481
  Daniel Wortmann authored Apr 26, 2018
  
  c3137481
- Add missing indizes to arrays in t_dos type · c9a840fc
  Gregor Michalicek authored Apr 26, 2018
  
  c9a840fc
- Separate t_dos type from t_regionCharges type · a60be6e5
  Gregor Michalicek authored Apr 26, 2018
  
  a60be6e5
- Add sumBandsVac subroutine to t_regionCharges type · efb8c4c6
  Gregor Michalicek authored Apr 26, 2018
  
  efb8c4c6
25 Apr, 2018 6 commits
- Guess what?! ...more cleanup in cdn/cdnval.F90 · a94ac1a2
  Gregor Michalicek authored Apr 25, 2018
  
  a94ac1a2
- More subroutines for the t_force type · d970cdc8
  Gregor Michalicek authored Apr 25, 2018
  
  d970cdc8
- Move some code from cdn/cdnval.F90 to cdn/vacden.F90 · 74cf9fcc
  Gregor Michalicek authored Apr 25, 2018
  
  74cf9fcc
- Some more cleanup in cdn/cdnval.F90 · 141d696a
  Gregor Michalicek authored Apr 25, 2018
  
  141d696a
- Move some cdnval related timers to the actually associated subroutines · 7fe29d49
  Gregor Michalicek authored Apr 25, 2018
  
  7fe29d49
- Introduce more subroutines to t_denCoeffsOffdiag type · aef7be8e
  Gregor Michalicek authored Apr 25, 2018
  
  aef7be8e
24 Apr, 2018 8 commits
- Eliminate l_fmpl variable in cdn/cdnval.F90 · 57b086ad
  Gregor Michalicek authored Apr 24, 2018
  
  57b086ad
- Change order of "slice OK" ending and call to cdncore · 4588f100
  Gregor Michalicek authored Apr 24, 2018
  
  4588f100
- Move doswrite and Ek_write_sl to main/cdngen.F90 · 25773d9a
  Gregor Michalicek authored Apr 24, 2018
  
  25773d9a
- Introduce t_gVacMap type to cdn/cdnval.F90 · fe411e52
  Gregor Michalicek authored Apr 24, 2018
```
+more cleanup
```
  fe411e52
- 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
- Introduce calcDenCoeffs subroutine to cdn/cdnval.F90 · f9e91577
  Gregor Michalicek authored Apr 24, 2018
  
  f9e91577
- Bugfix for eigenvactor parallelization in cdnval · 0865b1d2
  Gregor Michalicek authored Apr 24, 2018
  
  0865b1d2
23 Apr, 2018 11 commits
- Merge branch 'vgen-refactor' into 'develop' · dfb2193a
  Daniel Wortmann authored Apr 23, 2018
```
Vgen refactoring finished

See merge request fleur/fleur!2
```
  dfb2193a
- Update mpmom.F90 to fix last commit · ff31ed59
  Daniel Wortmann authored Apr 23, 2018
  
  ff31ed59
- Minor cleanup related with last commit · fe834ea8
  Gregor Michalicek authored Apr 23, 2018
  
  fe834ea8
- Introduce t_cdnvalKLoop type · 09adadde
  Gregor Michalicek authored Apr 23, 2018
```
+make io/eig66_mem.F90 read_eig capable to read only certain bands
```
  09adadde
- Merge branch 'develop' into 'vgen-refactor' · d3272780
  Daniel Wortmann authored Apr 23, 2018
```
# Conflicts:
#   init/initParallelProcesses.F90
#   init/old_inp/fleur_init_old.F90
#   main/fleur_init.F90
#   vgen/mpmom.F90
```
  d3272780
- Bugfix. pw_w in type potden was not deallocated in noco case. · 84dff9d2
  Daniel Wortmann authored Apr 23, 2018
  
  84dff9d2
- Some cleanup and documentation added · 8d0ef065
  Daniel Wortmann authored Apr 23, 2018
  
  8d0ef065
- Bugfix, no rhodirgen anymore · a395b56f
  Daniel Wortmann authored Apr 23, 2018
  
  a395b56f
- Moved generation of ratated density into vgen, vmatgen into vgen_finalize, Bugfixes in MPI · e7322d58
  Daniel Wortmann authored Apr 23, 2018
  
  e7322d58
- Bugfixes for MPI part · 600aa2ad
  Daniel Wortmann authored Apr 23, 2018
  
  600aa2ad
- Bugfixes, passes tests on workstation. · 885e3f2d
  Daniel Wortmann authored Apr 23, 2018
  
  885e3f2d
20 Apr, 2018 5 commits
- Add eig array to t_results type · 656013e7
  Gregor Michalicek authored Apr 20, 2018
  
  656013e7
- Introduce real SiFilmSlicePlotXML test · 9d12850f
  Gregor Michalicek authored Apr 20, 2018
```
The old test is renamed to SiFilmPlotXML.

+ bugfix for density slice generation in main/cdngen.F90
```
  9d12850f
- Many small bugfixes, first tests no longer fail :-) · 66edbef4
  Daniel Wortmann authored Apr 20, 2018
  
  66edbef4
- Some small bugfixes · 4be4a0b7
  Daniel Wortmann authored Apr 20, 2018
  
  4be4a0b7
- Changes to vgen now compile, tests do not work yet... · 5b72e8c9
  Daniel Wortmann authored Apr 20, 2018
  
  5b72e8c9
19 Apr, 2018 4 commits
- Split up k point loop in cdn/cdnval.F90 · 0ea3f51b
  Gregor Michalicek authored Apr 19, 2018
```
This is a preparation to allow the explicit choice of the bands to be
included.
```
  0ea3f51b
- Fill results%neig array · 5d84444e
  Gregor Michalicek authored Apr 19, 2018
  
  5d84444e
- Bugfix for last commit · a0790b8e
  Gregor Michalicek authored Apr 19, 2018
  
  a0790b8e
- Refactor results type initialization + add neig array to this type · 59db4fde
  Gregor Michalicek authored Apr 19, 2018
  
  59db4fde