Commits · main · Originns / octopus · GitLab

Jul 07, 2025
- Merge branch 'tolerance-linear_response-casida_gga' into 'main' · bf0a3d41
  Nicolas Tancogne-Dejean authored Jul 07, 2025
  bf0a3d41
- recenter gga casida tests · 48b9d82f
  Martin Lueders authored Jul 07, 2025
  
  48b9d82f
Jul 04, 2025
- Merge branch 'hotfix-16.1' · a8090049
  Martin Lueders authored Jul 04, 2025
  
  a8090049
- Automatic update of test values from testsuite app · c41e91f3
  Sebastian Ohlmann authored Jul 04, 2025
  
  c41e91f3
- update tolerance of flakey test · 7cb6398d
  Martin Lueders authored Jul 04, 2025
  
  View commits for tag 16.1 16.1
  7cb6398d
- Revert "Update tolerance for linear_response/09-casida_gga" · 4a29ed8e
  Sebastian Ohlmann authored Jul 04, 2025
  4a29ed8e
- Fix Chebyshev parameters for 09-casida_gga test · af18365a
  Sebastian Ohlmann authored Jul 04, 2025
  af18365a
- amend release date · 8e7626ae
  Martin Lueders authored Jul 04, 2025
  
  8e7626ae
Jul 03, 2025
- Merge branch 'fix_git_hash_cmake_error' into 'hotfix-16.1' · 22be47f4
  Martin Lueders authored Jul 03, 2025
  22be47f4
- Autotools CI jobs: use GIT_STRATEGY clone · 5c5fc286
  Martin Lang authored Jul 03, 2025
  
  5c5fc286
- Guard against querying the git hash when git repository information is not present. · 87f4be98
  Alex Buccheri authored Jul 03, 2025
  
  87f4be98
- bump version number to 16.1 · 389d558f
  Martin Lueders authored Jul 03, 2025
  
  389d558f
Jul 02, 2025
- test linear_response/09-casida_gga use PoissonSolver = isf · 408b6409
  Martin Lang authored Jul 02, 2025
  
  408b6409
- Update tolerance for linear_response/09-casida_gga · b70a45a9
  Martin Lang authored Jul 02, 2025
  
  b70a45a9
Jul 01, 2025
- Merge branch 'fix_smearing_kpt' into 'hotfix-16.1' · d52198df
  Nicolas Tancogne-Dejean authored Jul 01, 2025
  d52198df
- Fix the computation of the Fermi energy · e765d626
  Nicolas Tancogne-Dejean authored Jun 30, 2025
  e765d626
Jun 30, 2025
- Merge branch 'refactor_partial_charges' into 'main' · f80e72c4
  Nicolas Tancogne-Dejean authored Jun 30, 2025
  f80e72c4
- Small refactoring of partial charges · 18153744
  Nicolas Tancogne-Dejean authored Jun 24, 2025
  18153744
- Merge branch 'optimization-projector_bra-kernel' into 'main' · befc65a4
  Sebastian Ohlmann authored Jun 30, 2025
  befc65a4
Jun 29, 2025
- Merge branch 'fix_xyz' into 'main' · 2aefb2ec
  Alex Buccheri authored Jun 29, 2025
  2aefb2ec
- Merge branch 'modelmb/encapsulate_remaining_terms' into 'main' · a9c4fffc
  Alex Buccheri authored Jun 29, 2025
  a9c4fffc
- Fix missing directory prefix for .xyz output, introduced in commit 647333c4 · a3e22dc9
  Alex Buccheri authored Jun 23, 2025
  
  a3e22dc9
- Move remaining modelmb attributes from states_elec_t and into modelmb_particle_t · 2ff65472
  Alex Buccheri authored Jun 23, 2025
  
  2ff65472
- Merge branch 'failing_tests/foss_mpi_debug_leapfrog' into 'main' · b66a2994
  Alex Buccheri authored Jun 29, 2025
  b66a2994
Jun 28, 2025
- Merge branch 'ci-fix-docker-build' into 'main' · 92861b21
  Martin Lang authored Jun 28, 2025
  92861b21
Jun 27, 2025
- TiO2 sum of eigenvalues is flakey with CUDA · 4151d40e
  Alex Buccheri authored Jun 27, 2025
  
  4151d40e
- Remove unnecessary tolerances on physically equivalent values · eedec216
  Alex Buccheri authored Jun 27, 2025
  
  eedec216
- Loosen tight tolerances introduced by automated application of the testsuite app · 14ffa086
  Alex Buccheri authored Jun 27, 2025
  
  14ffa086
- Disable maxwell/11-leapfrog for foss-mpi-debug, such that the pipelines are... · 9ca84af4
  Alex Buccheri authored Jun 27, 2025
  9ca84af4
- Dockerfiles: run cmake configure with --fresh · b59e235e
  Martin Lang authored Jun 27, 2025
  
  b59e235e
- Merge branch 'scheduled-image-rebuilds' into 'main' · 47cf4b58
  Martin Lang authored Jun 27, 2025
  47cf4b58
Jun 26, 2025
- Build docker images for main in scheduled pipelines · 4fee74a2
  Martin Lang authored Jun 23, 2025
  
  4fee74a2
- Merge branch 'lang-m-main-patch-72341' into 'main' · 6cab4382
  Martin Lueders authored Jun 26, 2025
  6cab4382
Jun 25, 2025
- Merge branch 'external_libs/remove_gdlib' into 'main' · 4be6bee1
  Martin Lueders authored Jun 25, 2025
  4be6bee1
Jun 24, 2025
- CI: toolchain with ucx 1.17 for foss-mpi-debug · 2ec21398
  Martin Lang authored Jun 24, 2025
  
  2ec21398
- Enlarge further some tolerances. · 1e8cdd30
  Nicolas Tancogne-Dejean authored Jun 24, 2025
  
  1e8cdd30
- Merge branch 'fix_arpes_polarized' into 'hotfix-16.1' · 8ec915fe
  Martin Lueders authored Jun 24, 2025
  8ec915fe
- Fix tolerances after merge. · ea2fa434
  Nicolas Tancogne-Dejean authored Jun 24, 2025
  
  ea2fa434
Jun 23, 2025
- Fix some problem with ARPES output with spin-polarized calculations. · c5a13d61
  Nicolas Tancogne-Dejean authored Apr 24, 2023
  
  c5a13d61
- Merge branch 'hotfix-16.1' · cbddeb41
  Alex Buccheri authored Jun 23, 2025
  
  cbddeb41