Commits · develop · fleur / fleur

22 Jan, 2020 1 commit
- Remove input%tria and input%gauss see #359 · 9790557e
  Henning Janssen authored Jan 22, 2020
```
  replaced with input%bz_integration
```
  9790557e
17 Jan, 2020 4 commits
- Removed redundant parameters from types_input · 4cd6f89a
  Henning Janssen authored Jan 17, 2020
  
  4cd6f89a
- Removed redundant parameters from types_atoms · 83d57793
  Henning Janssen authored Jan 17, 2020
  
  83d57793
- Started integrating new input types gfinp and hub1inp · 248cdd03
  Henning Janssen authored Jan 17, 2020
```
   Now remove the redundant parameters
```
  248cdd03
- Added input types for greens functions and hubbard 1 · b6663f9f
  Henning Janssen authored Jan 17, 2020
```
  -not yet connected to anything
```
  b6663f9f
14 Jan, 2020 1 commit
- Cleaned up t_greensf, removed unused variable · fdf5cc1e
  Henning Janssen authored Jan 14, 2020
  
  fdf5cc1e
13 Jan, 2020 1 commit
- Bug in inpgen2 fixed. Incorrect naming of atom species and incorrect mapping of equivalent atoms. · 5696b3d8
  Daniel Wortmann authored Jan 13, 2020
  
  5696b3d8
09 Jan, 2020 1 commit
- Fixed missing xml%init in relax_io · 6d53c2c3
  Daniel Wortmann authored Jan 09, 2020
  
  6d53c2c3
08 Jan, 2020 5 commits
- Got bored. Wrote a source-free switch. · b7d2e059
  Alexander Neukirchen authored Jan 08, 2020
  
  b7d2e059
- Fixing plots III · 4ecf4e1c
  Alexander Neukirchen authored Jan 08, 2020
  
  4ecf4e1c
- Changes to fix test Part I · 476173b3
  Robin Hilgers authored Jan 08, 2020
  
  476173b3
- Added updates for plot in Schema and sliceplot type · 9934da0f
  Daniel Wortmann authored Jan 08, 2020
  
  9934da0f
- Corrected Schema for last commit. · 45a2a436
  Daniel Wortmann authored Jan 08, 2020
  
  45a2a436
05 Jan, 2020 3 commits
- moved l_subvxc, l_calchf, l_addhf from hybinp to hybdat. compiles now · 55be5526
  Matthias Redies authored Jan 05, 2020
  
  55be5526
- nbasp, max_indx_p_1, maxbasm1 moved from hybinp to hybdat · 3fc64e12
  Matthias Redies authored Jan 05, 2020
  
  3fc64e12
- move maxlmindx from hybinp to hybdat · 8c13527f
  Matthias Redies authored Jan 05, 2020
  
  8c13527f
03 Jan, 2020 3 commits
- rename hybrid => hybinp · 90330e62
  Matthias Redies authored Jan 03, 2020
  
  90330e62
- finish renaming mpbasis => mpdata · 3ac4539e
  Matthias Redies authored Jan 03, 2020
  
  3ac4539e
- create a mpinp type · ad47a05c
  Matthias Redies authored Jan 03, 2020
  
  ad47a05c
02 Jan, 2020 2 commits
- fix format & drop stops · b97d508e
  Matthias Redies authored Jan 02, 2020
  
  b97d508e
- move prodbasis to right position · 0b3b7f67
  Matthias Redies authored Jan 02, 2020
  
  0b3b7f67
18 Dec, 2019 2 commits
- added prodtypes. Values seem wrong though · f577f90a
  Matthias Redies authored Dec 18, 2019
  
  f577f90a
- put prodbasis back to inp.xml · d42b986e
  Matthias Redies authored Dec 18, 2019
  
  d42b986e
17 Dec, 2019 2 commits
- Fixes for kpoint generator. Should fix #377 and #338 · 4fae2765
  Daniel Wortmann authored Dec 17, 2019
  
  4fae2765
- Changed w_inp.xml according to new plotting options. · 9c8a30b3
  Robin Hilgers authored Dec 17, 2019
  
  9c8a30b3
13 Dec, 2019 3 commits
- Removed deleted parameters from writeBasis · a025c2b9
  Daniel Wortmann authored Dec 13, 2019
  
  a025c2b9
- Fixed cdnpot_io_hdf · c47008a2
  Daniel Wortmann authored Dec 13, 2019
  
  c47008a2
- Cleanup. Removed a lot of files no longer compiled and/or used. · 05782dbc
  Daniel Wortmann authored Dec 13, 2019
  
  05782dbc
12 Dec, 2019 2 commits
- Fixed compilation problems. IO missing for hybrid+GF · b8bb564e
  Daniel Wortmann authored Dec 12, 2019
  
  b8bb564e
- Many fixes to be able to compile after merge · 7c453ce5
  Daniel Wortmann authored Dec 12, 2019
  
  7c453ce5
10 Dec, 2019 1 commit
- Add Hubbard 1 test · ee7d7b4f
  Henning Janssen authored Dec 10, 2019
  
  ee7d7b4f
09 Dec, 2019 1 commit
- Update FleurInputSchema.xsd to make SpinFlip switches optional · ed70352a
  Daniel Wortmann authored Dec 09, 2019
  
  ed70352a
06 Dec, 2019 1 commit

added Intraatomic magnetic dipole operator and multipole expansions · e498c60c

Gregor Michalicek authored Dec 06, 2019

Note: The output unit for <T> is hbar/2. ...this has to be changed in the future.
Note2: Switches have to be implemented to toggle the computation of these quantities.

e498c60c

28 Nov, 2019 1 commit
- Copy inputSchema.h to inputSchema.h.backup · f6df3462
  Gregor Michalicek authored Nov 28, 2019
  
  f6df3462
25 Nov, 2019 1 commit
- Update FleurInputSchema.xsd · 0773cca1
  Frank Freimuth authored Nov 25, 2019
  
  0773cca1
22 Nov, 2019 1 commit
- Allow inp.xml version number 0.31 to be read in. · e06160aa
  Gregor Michalicek authored Nov 22, 2019
  
  e06160aa
21 Nov, 2019 1 commit
- Adapt version numbers to next Fleur release · dbadf6eb
  Gregor Michalicek authored Nov 21, 2019
```
...I hope I found all of them. :)
```
  dbadf6eb
19 Nov, 2019 1 commit
- Added alignSpinAxisMagn.f90 routine. · d1e6ef06
  Robin Hilgers authored Nov 19, 2019
  
  d1e6ef06
18 Nov, 2019 1 commit
- ngptm => n_g · 54077824
  Matthias Redies authored Nov 18, 2019
  
  54077824
14 Nov, 2019 1 commit
- Add MT radius check to compareStructure subroutine · 32662b7c
  Gregor Michalicek authored Nov 14, 2019
```
...otherwise the stepfunction is not automatically recalculated if
the MT radii change.
```
  32662b7c