Commits · b0fa521550b9f62c346af91d07fa08dc9c52b78c · fleur / fleur · GitLab

04 May, 2018 1 commit
- Make Fe_fcc and Fe_fccXML test more sensitive to deviations from current stable version · b0fa5215
  Gregor Michalicek authored May 04, 2018
  
  b0fa5215
02 May, 2018 3 commits
- Make some arguments to cdnval optional · f3a9572a
  Gregor Michalicek authored May 02, 2018
  
  f3a9572a
- Rename cdnvalKLoop into cdnvalJob · 6827f484
  Gregor Michalicek authored May 02, 2018
```
+integrate weights array into t_cdnvalJob type
```
  6827f484
- Eliminate write_dos and read_dos subroutines · 9a64cbe9
  Gregor Michalicek authored May 02, 2018
  
  9a64cbe9
27 Apr, 2018 12 commits
- Remove qintsl and qmtsl from read_dos · bfbfae41
  Gregor Michalicek authored Apr 27, 2018
  
  bfbfae41
- Remove mcd from read_dos · a5d130c7
  Gregor Michalicek authored Apr 27, 2018
  
  a5d130c7
- Remove requirement for read_dos, write_dos subroutines (part 2) · cced8df0
  Gregor Michalicek authored Apr 27, 2018
  
  cced8df0
- Some bugfixes in mpi/mpi_col_den.F90 · b4f9dbd5
  Gregor Michalicek authored Apr 27, 2018
  
  b4f9dbd5
- Remove requirement for read_dos, write_dos subroutines (part 1) · bd99a389
  Gregor Michalicek authored Apr 27, 2018
```
(at the moment this is broken)
```
  bd99a389
- Merge branch 'xc-pot-refactor' into 'develop' · 9ffd69d4
  Daniel Wortmann authored Apr 27, 2018
```
Xc pot refactor finished (libxc GGA is missing)

See merge request fleur/fleur!3
```
  9ffd69d4
- Merge branch 'xc-pot-refactor' of iffgit.fz-juelich.de:fleur/fleur into xc-pot-refactor · 50469b62
  Daniel Wortmann authored Apr 27, 2018
  
  50469b62
- Bugfix for mpi_bc_xcpot. · b3153842
  Daniel Wortmann authored Apr 27, 2018
  
  b3153842
- Removed debugging IO. · ef9eb1a0
  Daniel Wortmann authored Apr 27, 2018
  
  ef9eb1a0
- Merge branch 'develop' into 'xc-pot-refactor' · 969a7a51
  Daniel Wortmann authored Apr 27, 2018
```
# Conflicts:
#   types/types.F90
```
  969a7a51
- Some preparations for libxc GGA implementation. Still not working. Additional... · ffaa9200
  Daniel Wortmann authored Apr 27, 2018
```
Some preparations for libxc GGA implementation. Still not working. Additional derivative has to be implemented....
```
  ffaa9200
- Added link&compile options for locally installed libraries to CI script · 9ef34c81
  Daniel Wortmann authored Apr 27, 2018
  
  9ef34c81
26 Apr, 2018 7 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
- Added cmake tests for libxc, fixed implementation of libxc · b4fa1066
  Daniel Wortmann authored Apr 26, 2018
  
  b4fa1066
25 Apr, 2018 10 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
- Bugfix in MPI code · 6ace9e6e
  Daniel Wortmann authored Apr 25, 2018
  
  6ace9e6e
- Some bugfixes · 8cee139b
  Daniel Wortmann authored Apr 25, 2018
  
  8cee139b
- Implementation of an simple interface to libxc · 030c2dc7
  Daniel Wortmann authored Apr 25, 2018
  
  030c2dc7
- Bugfixes for MPI codepath · 5ee63ee0
  Daniel Wortmann authored Apr 25, 2018
  
  5ee63ee0
24 Apr, 2018 7 commits
- Removed xcpot from mpi_bc_all. MPI broadcast of xcpot is still missing · 2ea30680
  Daniel Wortmann authored Apr 24, 2018
  
  2ea30680
- 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
- Adjusted depencencies of inpgen to make it compile · 35934fa4
  Daniel Wortmann authored Apr 24, 2018
  
  35934fa4
- Refactoring of xc-pot started, does not compile properly yet · d5208d7d
  Daniel Wortmann authored Apr 24, 2018
  
  d5208d7d