Commits · main · Sebastian Ohlmann / octopus · GitLab

Mar 06, 2025
- Merge branch 'cleaning_testsuite' into 'main' · 9257632e
  Nicolas Tancogne-Dejean authored Mar 06, 2025
  9257632e
- Remove explicit setting of EigensolverTolerance, as this is now linked to ConvRelDens. · c493a0f2
  Nicolas Tancogne-Dejean authored Mar 03, 2025
  
  c493a0f2
Mar 05, 2025
- Merge branch 'fix_mpcdf_build_script' into 'main' · e7b11a84
  Henri Menke authored Mar 05, 2025
  e7b11a84
- Enable yaml reports · c2b7bc75
  Sebastian Ohlmann authored Mar 05, 2025
  
  c2b7bc75
- Make shellcheck happy · c4cedd34
  Sebastian Ohlmann authored Mar 05, 2025
  
  c4cedd34
- Load newer MKL · 05e7f090
  Sebastian Ohlmann authored Mar 05, 2025
  
  05e7f090
- Fix detection of viper-gpu · b13d4d81
  Sebastian Ohlmann authored Mar 05, 2025
  
  b13d4d81
Mar 04, 2025
- Merge branch 'cleaning_lcao_guess_density' into 'main' · 76d82a7e
  Nicolas Tancogne-Dejean authored Mar 04, 2025
  76d82a7e
- Cleaning of lcao_guess_density · a9ab9898
  Nicolas Tancogne-Dejean authored Feb 12, 2025
  a9ab9898
Mar 03, 2025
- Merge branch 'ace_default' into 'main' · 9439a468
  Alex Buccheri authored Mar 03, 2025
  9439a468
- Address some small review comments. · e1bdaf76
  Nicolas Tancogne-Dejean authored Feb 25, 2025
  e1bdaf76
- The fatal error message also needs to be present for the ACE case. · 72e54ece
  Nicolas Tancogne-Dejean authored Feb 03, 2025
  72e54ece
- Add missing test files in the Makefile.am file. · f9e9099d
  Nicolas Tancogne-Dejean authored Jan 29, 2025
  
  f9e9099d
- The output of exchange matrix elements for BerkeleyGW do not use the ACE. · f8e41888
  Nicolas Tancogne-Dejean authored Jan 28, 2025
  
  f8e41888
- Update the reference of the MVORB test. · b8dcb288
  Nicolas Tancogne-Dejean authored Jan 28, 2025
  
  b8dcb288
- Fix a typo in a test file. · ec36259b
  Nicolas Tancogne-Dejean authored Jan 28, 2025
  
  ec36259b
- Changing a tolerance to improve numerical accuracy. · e0644643
  Nicolas Tancogne-Dejean authored Jan 27, 2025
  
  e0644643
- Minor changes following review comments. · caf3cac1
  Nicolas Tancogne-Dejean authored Jan 17, 2025
  
  caf3cac1
- Several fixes and improvements for the ACE and nonACE exchange operator · ecc54ee9
  Nicolas Tancogne-Dejean authored Jan 15, 2025
  ecc54ee9
- Adjust some tolerances. · 6f4a9aec
  Nicolas Tancogne-Dejean authored Jan 14, 2025
  
  6f4a9aec
- Fixes for the non-ACE exchange with k-points · 81e1962d
  Nicolas Tancogne-Dejean authored Jan 14, 2025
  81e1962d
- Adjust the energy after the fix for the singularity energy. · 93b2f53a
  Nicolas Tancogne-Dejean authored Jan 10, 2025
  
  93b2f53a
- Fix the energy of the Coulomb singularity for the spin-polarized case. A new test is added. · 5cf8d564
  Nicolas Tancogne-Dejean authored Dec 19, 2024
  
  5cf8d564
- Adding some more tests and fixes a problem with MPI one-side communications... · 879aca38
  Nicolas Tancogne-Dejean authored Dec 19, 2024
  879aca38
- Avoid calling Cholesky for the ACE is there are no electron for a given spin channel. · e18894bf
  Nicolas Tancogne-Dejean authored Dec 19, 2024
  
  e18894bf
- Do not use the ACE for RDMFT, as this is not implemented yet · 0b6d0751
  Nicolas Tancogne-Dejean authored Dec 19, 2024
  
  0b6d0751
- Make the ACE operator as default for the exchange operator · de730535
  Nicolas Tancogne-Dejean authored Dec 18, 2024
  
  de730535
- Merge branch 'mix_magnetization' into 'main' · 6a021794
  Sebastian Ohlmann authored Mar 03, 2025
  6a021794
Mar 02, 2025
- Fix a small problem with the +U mixing. · 09c94bc5
  Nicolas Tancogne-Dejean authored Feb 14, 2025
  09c94bc5
Feb 28, 2025
- Merge branch 'valgrind-asan-gcc13' into 'main' · 97caed64
  Henri Menke authored Feb 28, 2025
  97caed64
- Update tolerance of real_time/01-propagators.04-etrs_lanczos · 0c435df3
  Henri Menke authored Feb 28, 2025
  
  0c435df3
Feb 27, 2025
- Always run address-sanitizer jobs · 2dd55b6d
  Henri Menke authored Feb 27, 2025
  
  2dd55b6d
- Workaround GCC bug 87875 · a6861304
  Henri Menke authored Feb 27, 2025
  
  a6861304
- Merge branch 'oct-run_testsuite' into 'main' · c10436c9
  Sebastian Ohlmann authored Feb 27, 2025
  c10436c9
- Merge branch 'fix_cuda_error' into 'main' · 8a112191
  Nicolas Tancogne-Dejean authored Feb 27, 2025
  8a112191
Feb 26, 2025
- Preload libasan.so · fe00360b
  Henri Menke authored Feb 26, 2025
  
  fe00360b
- Add missing LSan suppressions · 0959d8d2
  Henri Menke authored Feb 26, 2025
  
  0959d8d2
- Make ASan and LSan work with OpenMPI · 9696d987
  Henri Menke authored Feb 26, 2025
  
  9696d987
- Fix memory leak in dos_init · 7a803c16
  Henri Menke authored Feb 26, 2025
  
  7a803c16
- Update the reference values of some tests. · f4d5c252
  Nicolas Tancogne-Dejean authored Feb 13, 2025
  
  f4d5c252