Commits · 87f4143a3049788294e9376f60afe6d0b5f9a481 · fleur / fleur

04 Jun, 2018 1 commit
- Eliminate the t_zmat type + make ChASE work with eigenvector storage · e76b6605
  Gregor Michalicek authored Jun 04, 2018
  
  e76b6605
18 May, 2018 1 commit
- Bugfix for issue #160 · f80a5bd9
  Gregor Michalicek authored May 18, 2018
  
  f80a5bd9
17 May, 2018 1 commit
- Bugfix for results%neig in SOC case · 7b713720
  Gregor Michalicek authored May 17, 2018
  
  7b713720
13 Apr, 2018 1 commit
- Bugfix in DMI code · 1a19b942
  Daniel Wortmann authored Apr 13, 2018
  
  1a19b942
12 Apr, 2018 1 commit
- Updated the xml Schema for input and made severl adjustments to force theorem code. · 78af809c
  Daniel Wortmann authored Apr 12, 2018
  
  78af809c
03 Apr, 2018 1 commit
- 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 1 commit
- Made phi/theta scalars again. Was a bad idea before... · 56f2806b
  Daniel Wortmann authored Mar 29, 2018
  
  56f2806b
28 Mar, 2018 2 commits
- Update CMakeLists.txt, (First) bugfix for previous commit · fc57a0dd
  Daniel Wortmann authored Mar 28, 2018
  
  fc57a0dd
- Modified the SOC part. Some routines can still be deleted. theta/phi are arrays now for · 3e24dd1b
  Daniel Wortmann authored Mar 28, 2018
```
DMI calculations.
```
  3e24dd1b
23 Mar, 2018 1 commit
- Changed interface and functionality of read_eig & write_eig, most probable still broken... · 49d5f493
  Daniel Wortmann authored Mar 23, 2018
  
  49d5f493
01 Mar, 2018 1 commit
- Resolve array size issues of zmat array in eigen_soc/alineso.F90 · 8edb27ed
  Gregor Michalicek authored Mar 01, 2018
  
  8edb27ed
26 Feb, 2018 1 commit
- Merge to development branch · da2884ab
  Daniel Wortmann authored Feb 26, 2018
  
  da2884ab
29 Nov, 2017 2 commits
- Implementation of basic Wannier input in inp.xml · 18169e7a
  Gregor Michalicek authored Nov 29, 2017
```
...still buggy and very incomplete.

The new test does not pass yet but it might already work.
```
  18169e7a
- Bugfix for last commit · a5f19292
  Daniel Wortmann authored Nov 29, 2017
  
  a5f19292
19 Oct, 2017 1 commit
- Remove readPotential calls in eigen_soc/eigenso.F90 and main/cdngen.F90 · ce154e54
  Gregor Michalicek authored Oct 19, 2017
  
  ce154e54
20 Sep, 2017 2 commits
- Cleanup for SOC scaling changes · b591bd5e
  Gregor Michalicek authored Sep 20, 2017
  
  b591bd5e
- Added scaling of SOC · 76a88538
  Daniel Wortmann authored Sep 20, 2017
  
  76a88538
03 May, 2017 1 commit
- Bugfix in eigenso · 58d6a8ea
  Daniel Wortmann authored May 03, 2017
  
  58d6a8ea
02 May, 2017 1 commit
- Fixed MPI parallelization problem in for readPotential in eigen_soc/eigenso.F90 · 193fa3c6
  Gregor Michalicek authored May 02, 2017
  
  193fa3c6
26 Apr, 2017 2 commits
- RMA synchrinization in eigenso (forgot to add file in the previous commit) · d9407e3d
  ua741532 authored Apr 26, 2017
  
  d9407e3d
- MPI_BARRIER in eigenso for RMA synchronization. · 5908df78
  ua741532 authored Apr 26, 2017
  
  5908df78
03 Mar, 2017 1 commit
- Added missing potential IO wrapper to eigen_soc/eigenso.f90. · d519c3a2
  Gregor Michalicek authored Mar 03, 2017
  
  d519c3a2
14 Feb, 2017 1 commit
- Bugfixes: eigenso -> broke SOC, strgn -> variable not initialized · 6532d61b
  Daniel Wortmann authored Feb 14, 2017
  
  6532d61b
13 Feb, 2017 1 commit
- Modification of stars datatype. Lots of variables have been removed. · 81a9df5d
  Daniel Wortmann authored Feb 13, 2017
  
  81a9df5d
09 Feb, 2017 1 commit
- Removed polymorphic variables in IO to make FLEUR run with PGI compilers · b5393a27
  Daniel Wortmann authored Feb 09, 2017
  
  b5393a27
17 Jan, 2017 1 commit
- Started to clean types... · 529e4e3d
  Daniel Wortmann authored Jan 17, 2017
```
removed: weight, natd, nkpts,nkptd
```
  529e4e3d
14 Oct, 2016 1 commit
- Fixed missing allocation in alineso. · 41c30678
  Gregor Michalicek authored Oct 14, 2016
  
  41c30678
11 Oct, 2016 1 commit
- Partial introduction of types to encapsulate real/complex arrays · 5c6dc2c0
  Gregor Michalicek authored Oct 11, 2016
  
  5c6dc2c0
07 Oct, 2016 1 commit

Major change! Should compile but not tested at all yet! · 45b7d160

Daniel Wortmann authored Oct 07, 2016

Removed preprocessor switches CPP_SOC, CPP_INVERSION, CPP_APW, CPP_CORE.
Only a single fleur executable is built.

45b7d160

26 Sep, 2016 1 commit
- Removed lots of preprocessor dependencies, fixed BUG in last commit · fdeca975
  Daniel Wortmann authored Sep 26, 2016
  
  fdeca975
02 Sep, 2016 1 commit
- Bugfixes for INVS+SOC version · d7189e6a
  Daniel Wortmann authored Sep 02, 2016
  
  d7189e6a
30 Aug, 2016 1 commit

Added code to include the compile time/user/host and the · 6a73f16b

Daniel Wortmann authored Aug 30, 2016

git version to the executable. This is done by cmake generating a file
init/compileinfo.h with the required data. This file is included in init/compile_descr.F90 and
ignored by git.

6a73f16b

29 Jun, 2016 1 commit
- Added copyright notice to a single file in the eigen_soc subdirectory · 2590f79a
  Gregor Michalicek authored Jun 29, 2016
  
  2590f79a
18 May, 2016 1 commit
- Bugfix in SOC+LO part · ace41c7e
  Daniel Wortmann authored May 18, 2016
  
  ace41c7e
04 May, 2016 1 commit
- Added some initializitation in SOC part · 8e05e3c2
  Daniel Wortmann authored May 04, 2016
  
  8e05e3c2
03 May, 2016 1 commit
- Bugfix in SOC: failed in case of atoms with different jri · 952e6cc9
  Daniel Wortmann authored May 03, 2016
  
  952e6cc9
02 May, 2016 1 commit
- Bugfixes in SOC part · 59686e44
  Daniel Wortmann authored May 02, 2016
  
  59686e44
29 Apr, 2016 1 commit
- Fixed many SOC related bugs, more to come :-) · 7b393007
  Daniel Wortmann authored Apr 29, 2016
  
  7b393007
26 Apr, 2016 1 commit
- Initial release of FLEUR v0.27 · e15587dc
  Markus Betzinger authored Apr 26, 2016
```
Based on v0.26 hybrid branch
```
  e15587dc