Commits · main · Jannis Krumland / octopus · GitLab

Mar 21, 2025
- Merge branch 'minor_fixes2' into 'main' · c0e8a7c0
  Heiko Appel authored Mar 21, 2025
  c0e8a7c0
- Merge branch 'batchify_dft_u' into 'main' · 1bd3de86
  Nicolas Tancogne-Dejean authored Mar 21, 2025
  1bd3de86
- Merge branch 'etsf-io' into 'main' · 7b1ef905
  Sebastian Ohlmann authored Mar 21, 2025
  7b1ef905
- Minor fixes. · 5d927355
  Nicolas Tancogne-Dejean authored Mar 21, 2025
  
  5d927355
- Remove etsf-io from the MPCDF modules list · 1a00c0eb
  Henri Menke authored Mar 21, 2025
  
  1a00c0eb
- Rewrite the CPU version of the DFT+U routine for getting coefficients, to... · f113bab6
  Nicolas Tancogne-Dejean authored Mar 14, 2025
  f113bab6
- Merge branch 'octopus-docker-container' into 'main' · 4feeb1bc
  Martin Lueders authored Mar 21, 2025
  4feeb1bc
Mar 20, 2025
- Merge branch 'mpcdf-build-script' into 'main' · 60e8512b
  Sebastian Ohlmann authored Mar 20, 2025
  60e8512b
- MPCDF: Also detect hostname on compute nodes · e3f989bc
  Henri Menke authored Mar 17, 2025
  
  e3f989bc
- Remove a debug print statement. · 10f09688
  Nicolas Tancogne-Dejean authored Mar 20, 2025
  
  10f09688
Mar 19, 2025
- Merge branch 'cmake-metis-fallback' into 'main' · c640b946
  Martin Lueders authored Mar 19, 2025
  c640b946
- Merge branch 'stabilize_cg_solver' into 'main' · 9ee353ba
  Nicolas Tancogne-Dejean authored Mar 19, 2025
  9ee353ba
- Merge branch '1222-remove-implicit-saved-variable' into 'main' · 999dc7dd
  Martin Lueders authored Mar 19, 2025
  999dc7dd
- Merge branch 'update_functional_list' into 'main' · 58258344
  Martin Lueders authored Mar 19, 2025
  58258344
- Make external metis OPTIONAL (fallback available) · 077780bb
  Martin Lang authored Mar 19, 2025
  
  077780bb
Mar 18, 2025
- Merge branch 'avoid_temporary_arrays' into 'main' · 20151aa3
  Martin Lueders authored Mar 18, 2025
  20151aa3
- Update the functional list with libxc 7. · e8b70c9c
  Nicolas Tancogne-Dejean authored Mar 18, 2025
  
  e8b70c9c
- fixed implied save attributes · 1aeabe3a
  Martin Lueders authored Mar 18, 2025
  
  1aeabe3a
- Automatic update of test values from testsuite app · 23602324
  Nicolas Tancogne-Dejean authored Mar 18, 2025
  
  23602324
- Merge branch '1217-remove-deprecated-aabb_traits-from-cgal-interface' into 'main' · 18dc44ad
  Martin Lueders authored Mar 18, 2025
  18dc44ad
- Remove temporary arrays · 81013ce6
  Nicolas Tancogne-Dejean authored Mar 12, 2025
  81013ce6
- Merge branch 'change_warning_into_info' into 'main' · 5cb9c663
  Sebastian Ohlmann authored Mar 18, 2025
  5cb9c663
- Make usage of AABB_traits_3 conditional on header being found · 1c09ea6a
  Henri Menke authored Mar 18, 2025
  
  1c09ea6a
- Stabilize the CG solver · 8690d5dc
  Nicolas Tancogne-Dejean authored Mar 18, 2025
  8690d5dc
- Merge branch 'optim_batch_get_points' into 'main' · f6877fe3
  Nicolas Tancogne-Dejean authored Mar 18, 2025
  f6877fe3
- Merge branch 'fix_confusing_name' into 'main' · 6b419a7c
  Alex Buccheri authored Mar 18, 2025
  6b419a7c
Mar 17, 2025
- The name between GS and UNOCC were inconsistent. · b77b6435
  Nicolas Tancogne-Dejean authored Mar 18, 2025
  
  b77b6435
- Adding some matches for the new test. · db9bce3d
  Nicolas Tancogne-Dejean authored Mar 11, 2025
  
  db9bce3d
- Merge branch 'divide_conquer_geneigensolver' into 'main' · d3cf0594
  Nicolas Tancogne-Dejean authored Mar 17, 2025
  d3cf0594
- Updating tests values. · 3ddbd649
  Nicolas Tancogne-Dejean authored Mar 10, 2025
  
  3ddbd649
- Optimization of the batch_get/set_points routines · 9fa0c64b
  Nicolas Tancogne-Dejean authored Mar 07, 2025
  
  9fa0c64b
- Merge branch 'minor_fixes' into 'main' · 092a8c4b
  Nicolas Tancogne-Dejean authored Mar 17, 2025
  092a8c4b
- Replace the generalized eigensolver by a divide and conquer eigensolver, which is much faster. · 11e7c553
  Nicolas Tancogne-Dejean authored Mar 05, 2025
  
  11e7c553
- Merge branch 'fix_mpcdf_buildscript' into 'main' · e66c0a49
  Henri Menke authored Mar 17, 2025
  e66c0a49
- fix viper-gpu hostname · a8074ece
  Sebastian Ohlmann authored Mar 17, 2025
  
  a8074ece
Mar 14, 2025
- Merge branch 'fix_symmetries_mix_periodicity' into 'main' · 5c3a6976
  Nicolas Tancogne-Dejean authored Mar 14, 2025
  5c3a6976
- Change restart warning into info · 0263ae8b
  Nicolas Tancogne-Dejean authored Mar 14, 2025
  0263ae8b
- Merge branch 'change_default_chebyshev_filtering_order' into 'main' · 7261b80d
  Nicolas Tancogne-Dejean authored Mar 14, 2025
  7261b80d
- Merge branch 'tutorial_geometry_optimization' into 'main' · 5896d479
  Nicolas Tancogne-Dejean authored Mar 14, 2025
  5896d479
- Install to /usr/local · 43ad6392
  Martin Lang authored Mar 14, 2025
  
  43ad6392