Commits · develop · fleur / fleur

23 Jan, 2020 1 commit
- Set some timestops; shelved work one tofrom lm. · 16efe677
  Alexander Neukirchen authored Jan 23, 2020
  
  16efe677
21 Jan, 2020 1 commit
- More fixes for libxc. Should compile now again. · 24dfbdb5
  Daniel Wortmann authored Jan 21, 2020
  
  24dfbdb5
16 Jan, 2020 2 commits
- Fixed bug introduced by aec52306 · 1949f0f1
  Daniel Wortmann authored Jan 16, 2020
  
  1949f0f1
- Changed data flow of metagga to start reenabling this feature · aec52306
  Daniel Wortmann authored Jan 16, 2020
  
  aec52306
13 Jan, 2020 2 commits
- Should *really* only do that for SF. · bd3f1ddb
  Alexander Neukirchen authored Jan 13, 2020
  
  bd3f1ddb
- Added a spin-scaling present in the SF paper. · a510ed3c
  Alexander Neukirchen authored Jan 13, 2020
  
  a510ed3c
08 Jan, 2020 2 commits
- Got bored. Wrote a source-free switch. · b7d2e059
  Alexander Neukirchen authored Jan 08, 2020
  
  b7d2e059
- SF can try to converge now. · 1ade6f8c
  Alexander Neukirchen authored Jan 08, 2020
  
  1ade6f8c
07 Jan, 2020 1 commit
- Added features to sliceplot to replace plot_inp file by xml input · 22c173bb
  Daniel Wortmann authored Jan 07, 2020
  
  22c173bb
05 Jan, 2020 1 commit
- moved l_subvxc, l_calchf, l_addhf from hybinp to hybdat. compiles now · 55be5526
  Matthias Redies authored Jan 05, 2020
  
  55be5526
03 Jan, 2020 1 commit
- rename hybrid => hybinp · 90330e62
  Matthias Redies authored Jan 03, 2020
  
  90330e62
30 Dec, 2019 1 commit
- Preparations for building a sourcefree vaccum part (untested). · f0cc368b
  Alexander Neukirchen authored Dec 30, 2019
  
  f0cc368b
20 Dec, 2019 4 commits
- Added missing End If · 5488ec3e
  Robin Hilgers authored Dec 20, 2019
  
  5488ec3e
- Quickfix for 4c9c1f95 · 9adc8e94
  Robin Hilgers authored Dec 20, 2019
  
  9adc8e94
- PBE delivers now correct off-diagonal elements in FFN case. Convergence is still somewhat poor. · e89459a7
  Robin Hilgers authored Dec 20, 2019
  
  e89459a7
- Fixed GGA with FFN somehow · 488d7065
  Robin Hilgers authored Dec 20, 2019
  
  488d7065
19 Dec, 2019 3 commits
- Added test for flipcdn · 817fc213
  Robin Hilgers authored Dec 19, 2019
  
  817fc213
- PTOXML should be fixed now.. · 7aa80a1e
  Robin Hilgers authored Dec 19, 2019
  
  7aa80a1e
- Fixed first series of tests. Now going to work on PTO tests · 02f7da53
  Robin Hilgers authored Dec 19, 2019
  
  02f7da53
18 Dec, 2019 1 commit
- Fixed issue of disappearing off diagonal elements · 6e9094d7
  Robin Hilgers authored Dec 18, 2019
  
  6e9094d7
17 Dec, 2019 1 commit
- cosmetical change · d5590821
  Robin Hilgers authored Dec 13, 2019
```
(cherry picked from commit cba9bf46)
```
  d5590821
13 Dec, 2019 1 commit
- Cleanup. Removed a lot of files no longer compiled and/or used. · 05782dbc
  Daniel Wortmann authored Dec 13, 2019
  
  05782dbc
12 Dec, 2019 4 commits
- Fixed compilation problems. IO missing for hybrid+GF · b8bb564e
  Daniel Wortmann authored Dec 12, 2019
  
  b8bb564e
- Trying to make mean B-field accessable. · 660234e5
  Alexander Neukirchen authored Dec 12, 2019
  
  660234e5
- Experimental changes considering source free B-fields. · ba5f5ea6
  Alexander Neukirchen authored Dec 12, 2019
  
  ba5f5ea6
- Many fixes to be able to compile after merge · 7c453ce5
  Daniel Wortmann authored Dec 12, 2019
  
  7c453ce5
06 Dec, 2019 6 commits
- 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
- Update divergence.f90 · 85fccf07
  Alexander Neukirchen authored Dec 06, 2019
  
  85fccf07
- Update divergence.f90 · b2bed33c
  Alexander Neukirchen authored Dec 06, 2019
  
  b2bed33c
- Update divergence.f90 · 3c830947
  Alexander Neukirchen authored Dec 06, 2019
  
  3c830947
- Update divergence.f90 · 50df202b
  Alexander Neukirchen authored Dec 06, 2019
  
  50df202b
- Pre merge commit. Commented out the non-funtional source-free code. Numerical... · f6ae46fd
  Alexander Neukirchen authored Dec 06, 2019
```
Pre merge commit. Commented out the non-funtional source-free code. Numerical problems yet to be solved...
```
  f6ae46fd
05 Dec, 2019 4 commits
- included noco in mt_div · ad35caa4
  Robin Hilgers authored Dec 05, 2019
  
  ad35caa4
- First conflict solved · 88ad2477
  Robin Hilgers authored Dec 05, 2019
  
  88ad2477
- Cdnval Issue has been gone I think.... · 845c5c96
  Robin Hilgers authored Dec 05, 2019
  
  845c5c96
- Two commits until merge · 440fc382
  Robin Hilgers authored Dec 05, 2019
  
  440fc382
03 Dec, 2019 1 commit

PBE and FFN now bring the BCC Iron testcase down to 1.06*10**-3 using straight... · 195d8fd5

Robin Hilgers authored Dec 03, 2019

PBE and FFN now bring the BCC Iron testcase down to 1.06*10**-3 using straight mixing. => It seems that there are still some convergence Issues.

195d8fd5

02 Dec, 2019 3 commits
- Updated comments. · 192b38f8
  Alexander Neukirchen authored Dec 02, 2019
  
  192b38f8
- Small fix. If one does not correct l_max, no l_max term should be present! · e8caa1bc
  Alexander Neukirchen authored Dec 02, 2019
  
  e8caa1bc
- Found mistake · e5513663
  Robin Hilgers authored Dec 02, 2019
  
  e5513663