Commits · 8d290d384b52a4dbcd23d6c79c65b36de4a4edf1 · kkr / jukkr · GitLab

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Jul 04, 2022
- Update files for FERMIOUT test to new Chebychev solver · 8d290d38
  Philipp Rüssmann authored 2 years ago
  
  8d290d38
- Update qdos test files to match results with improved Chebychev solver · 34655bee
  Philipp Rüssmann authored 2 years ago
  
  34655bee
- Minor cleanup · fd782414
  Philipp Rüssmann authored 2 years ago
  
  fd782414
Jun 30, 2022
- Merge kkrnano-constaint-bfields in, first version that compiles · 70a77d11
  Philipp Rüssmann authored 2 years ago
  
  but not working properly yet
  70a77d11
Apr 26, 2022
- Fix BdG test evaluation · 406290c6
  Philipp Ruessmann authored 2 years ago
  
  406290c6
Oct 19, 2021
- Fix BdG tests · ec885649
  Philipp Rüssmann authored 3 years ago
  
  ec885649
May 05, 2021
- Cherry pick of Merge commit 'fix_tests' -> develop · f88c4e39
  Philipp Rüssmann authored 3 years ago and Philipp Rüssmann committed 3 years ago
  
  f88c4e39
- added test for new <BXCSCL> option · 66c3e9e3
  Manuel Dias authored 3 years ago and Philipp Rüssmann committed 3 years ago
  
  66c3e9e3
- Change to python 3 test runner · 627de680
  Philipp Rüssmann authored 3 years ago
  
  627de680
- Rename tests to make space for new test 24 · f3dd0b26
  Philipp Rüssmann authored 3 years ago
  
  f3dd0b26
Dec 03, 2020
- Add simple test for BdG with eh coupling · 36787d52
  Philipp Rüssmann authored 4 years ago
  
  36787d52
- Forgot to add inputcard in last commit · 971f39fe
  Philipp Rüssmann authored 4 years ago
  
  971f39fe
Nov 27, 2020
- Fix path of kkr.x_BdG for e/h symm test · 28329b32
  Philipp Rüssmann authored 4 years ago
  
  28329b32
- Found signs and complex conjugations that lead to particle hole symmetry · eab58177
  Philipp Rüssmann authored 4 years ago
  
  still missing: correct density (qdos etc.)
  eab58177
Nov 26, 2020
- Fix linking of libflame · 7f2bd6b2
  Philipp Rüssmann authored 4 years ago
  
  7f2bd6b2
Nov 05, 2020
- Rename decouple_spins_cheby->decouple_spin_cheby and fix merge of commit a4e54955 · fe5080c8
  Philipp Rüssmann authored 4 years ago
  
  fe5080c8
Nov 03, 2020
- Add test for decoupled spin channels (compared to NOSOC and SOCSCL=0 calcs) · ce3fe3f5
  Philipp Rüssmann authored 4 years ago
  
  ce3fe3f5
- Fix tests · 860f0924
  Philipp Rüssmann authored 4 years ago
  
  860f0924
Oct 22, 2020
- Fix test15.1 by adding nonco_angle.dat and switch potentials for second atom · b9a157a0
  Philipp Rüssmann authored 4 years ago
  
  b9a157a0
Sep 22, 2020
- Also change common_functions needed in kkrparser_functions · fbfc2ac4
  Philipp Rüssmann authored 4 years ago
  
  fbfc2ac4
- Update kkr parser function for test evaluation · 4d50eab4
  Philipp Rüssmann authored 4 years ago
  
  Take kkrparser_functions.py from masci-tools, commit 2df8019
  4d50eab4
May 20, 2020
- Prepare adaptive k-point integration · ce60225b
  Philipp Rüssmann authored 4 years ago
  
  ce60225b
Apr 07, 2020
- Make ci tests work again with python2 · d80cb7be
  Philipp Rüssmann authored 5 years ago
  
  d80cb7be
- Fix merge conflict · e9a3525c
  Philipp Rüssmann authored 5 years ago
  
  e9a3525c
Nov 21, 2019
- Add nosratrick nspin=1 test for BdG1 · ef483c25
  Philipp Rüssmann authored 5 years ago
  
  ef483c25
- Adapt BdG1 test to match for not very fine k-mesh (needed for better accuracy but takes too long) · 7b2b82fb
  Philipp Rüssmann authored 5 years ago
  
  7b2b82fb
Nov 12, 2019
- Add ref files for BdG0 tests · 41cbe52f
  Philipp Rüssmann authored 5 years ago
  
  41cbe52f
Nov 08, 2019
- Add nosratrick ref for BdG0 test · 37af938a
  Philipp Rüssmann authored 5 years ago
  
  37af938a
Nov 07, 2019
- Remove CPP_BdG, add custom_testopt for BdG writeout, fix espv for holes, add... · 13a94ada
  Philipp Rüssmann authored 5 years ago
  
  Remove CPP_BdG, add custom_testopt for BdG writeout, fix espv for holes, add nosratrick test for BdG0
  13a94ada
- Fix imports in refactored test scripts · 7c0c9986
  Philipp Rüssmann authored 5 years ago
  
  7c0c9986
- Split BdG tests from KKRhost tests · 4a6adb38
  Philipp Rüssmann authored 5 years ago
  
  4a6adb38
- Fix BdG0 nspin==1 test · bf5736dd
  Philipp Rüssmann authored 5 years ago
  
  bf5736dd
Nov 06, 2019
- Add BdG1 test files and run script · 18b16d41
  Philipp Rüssmann authored 5 years ago
  
  18b16d41
- Add BdG1 tests to gitlab ci · 74fb86d4
  Philipp Rüssmann authored 5 years ago
  
  74fb86d4
- Skip BdG tests except for nspin=1 mode · de8a04bc
  Philipp Rüssmann authored 5 years ago
  
  de8a04bc
- Fix path for BdG0 test · dc821c90
  Philipp Rüssmann authored 5 years ago
  
  dc821c90
- Add BdG0 test · 64b0284e
  Philipp Rüssmann authored 5 years ago
  
  64b0284e
- Split SOC feature tests in two sets · e27363ef
  Philipp Rüssmann authored 5 years ago
  
  e27363ef
- Prepare BdG0 test files · d3250da6
  Philipp Rüssmann authored 5 years ago
  
  d3250da6
- Add test 24 to ci script, add test files · d97f4b02
  Philipp Rüssmann authored 5 years ago
  
  d97f4b02