Commits · develop · SunJiuyu / octopus · GitLab

Jun 10, 2023
- temp jdos output · 2f61291f
  Sunjy@MacMini authored Jun 10, 2023
  
  2f61291f
Aug 11, 2022
- bug fix, gs calculation does not pass lrho() · b91efaaf
  SunJiuyu authored Aug 11, 2022
  
  b91efaaf
- (spin-resolved) local number of electrons · af86d95f
  SunJiuyu authored Aug 09, 2022 and SunJiuyu committed Aug 11, 2022
  
  af86d95f
- tdos_ik loop optimized · 5b692909
  SunJiuyu authored Aug 03, 2022 and SunJiuyu committed Aug 11, 2022
  
  5b692909
- projected td-dos (spin-polarized) added · 30355031
  SunJiuyu authored Jul 30, 2022 and SunJiuyu committed Aug 11, 2022
  
  30355031
- Modified output of n_exc_elec for spin_polarized · 1833a860
  SunJiuyu authored Jul 26, 2022
  
  1833a860
Jul 29, 2022
- Merge branch 'release-12.0' into develop · 1f263dd8
  Martin Lueders authored Jul 29, 2022
  
  1f263dd8
- Merge branch 'fix_dft_u_v_bugs' into 'release-12.0' · 728e75ca
  Martin Lueders authored Jul 29, 2022
  728e75ca
- Merge branch 'fix_laser_bug' into 'release-12.0' · 9f628116
  Martin Lueders authored Jul 29, 2022
  9f628116
- Merge branch 'fix_uninitialized_value' into 'develop' · d083c482
  Nicolas Tancogne-Dejean authored Jul 29, 2022
  d083c482
- Fix uninitialized value · 4c464ca6
  Sebastian Ohlmann authored Jul 29, 2022
  4c464ca6
Jul 28, 2022
- Merge branch 'helmholtz_decomposition' into 'develop' · 5a89d37a
  Sebastian Ohlmann authored Jul 28, 2022
  5a89d37a
- Merge branch 'fix_bugs_occured_on_ada' into 'release-12.0' · f2146edf
  Martin Lueders authored Jul 28, 2022
  f2146edf
- Update Helmholtz decomposition test · 70c58cc9
  Sebastian Ohlmann authored Jul 28, 2022
  70c58cc9
- Fix some bugs that occured when testing GPU runs on Ada · baf02fca
  Sebastian Ohlmann authored Jul 28, 2022
  
  baf02fca
- Merge branch 'fix_dispersive_medium' into 'develop' · 7ad2a100
  Sebastian Ohlmann authored Jul 28, 2022
  7ad2a100
- Use the same Poisson solver on CPUs and GPUs · e5c417cb
  Sebastian Ohlmann authored Jul 28, 2022
  
  e5c417cb
- Merge branch 'improve_test_stability' into 'develop' · 3d07554b
  Sebastian Ohlmann authored Jul 28, 2022
  3d07554b
- Fix a test depending on the renamed file current_at_points · 8a31e3d4
  Sebastian Ohlmann authored Jul 28, 2022
  
  8a31e3d4
- Add an initialization for the e field variables · 1e0a6755
  Sebastian Ohlmann authored Jul 28, 2022
  1e0a6755
- Rename the file with the current output for dispersive media · 83cc3368
  Sebastian Ohlmann authored Jul 28, 2022
  83cc3368
- Adapt helmholtz decomposition test · 45493082
  Sebastian Ohlmann authored Jul 28, 2022
  45493082
Jul 27, 2022
- Move poisson_init call · 95c7b60b
  Sebastian Ohlmann authored Jul 27, 2022
  95c7b60b
- Fix some tests again · f24f00b7
  Sebastian Ohlmann authored Jul 27, 2022
  f24f00b7
Jul 26, 2022
- Move poisson_t to system_mxll_t and move calls to helmholtz to output routines · d0be6c22
  Franco Bonafé authored Jul 26, 2022
  
  d0be6c22
- Merge branch 'soc_fix' into 'develop' · ca603488
  Sebastian Ohlmann authored Jul 26, 2022
  ca603488
- use omp if-clause to deactivate omp for gpu · 4328b227
  mtabriz authored Jul 26, 2022
  
  4328b227
Jul 23, 2022
- Merge branch 'fix_subspace_diagonalization_gpu' into 'develop' · 23646564
  Nicolas Tancogne-Dejean authored Jul 23, 2022
  23646564
Jul 22, 2022
- Address comments on MR · 1876439a
  Sebastian Ohlmann authored Jul 22, 2022
  1876439a
- Some more cleaning. · 57ddfe12
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  
  57ddfe12
- mark gpu ops in omp region as critical · 0f95a84e
  mtabriz authored Jul 19, 2022
  
  0f95a84e
- allocate ppsi_mesh in parallel region · 961bf4d9
  mtabriz authored Jul 18, 2022
  
  961bf4d9
- fixed typo in test file · 2d7e93bb
  Martin Lueders authored Jul 22, 2022
  
  2d7e93bb
- Merge branch 'dft_u_better_name' into 'develop' · 82e4ebde
  Sebastian Ohlmann authored Jul 22, 2022
  82e4ebde
- Merge branch 'convert_epot' into 'develop' · 74aa0738
  Sebastian Ohlmann authored Jul 22, 2022
  74aa0738
- Further cleaning in the finite_2d folder. · 7e442619
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  
  7e442619
- Update the test finite_systems_2d/01-quadratic_box · b50520e2
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  
  b50520e2
- Improved test files and tolerances for the folder pseudopotentials. · 589b3a60
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  
  589b3a60
- Merge branch 'improve_test_stability' of gitlab.com:octopus-code/octopus into... · d035f916
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  d035f916
- Cleaning of the finite_systems_1d tests. · 720748fa
  Nicolas Tancogne-Dejean authored Jul 22, 2022
  
  720748fa