Commits · main · Francesco Troisi / octopus_qed · GitLab

Aug 04, 2023
- Ensure hermiticity for K point matrix element · e6104911
  Francesco Troisi authored Aug 04, 2023
  
  e6104911
Jul 31, 2023
- Fixed restart path · c512ae7c
  Francesco Troisi authored Jul 31, 2023
  
  c512ae7c
Jul 28, 2023
- Added -i to momentum matrix element · 7f9367ed
  Francesco Troisi authored Jul 29, 2023
  
  7f9367ed
Jul 27, 2023
- Implemented velocity matrix elements · f0c3eec4
  Francesco Troisi authored Jul 27, 2023
  
  f0c3eec4
Jul 26, 2023
- Major bug fix in optical response. Removed unused dependencies · f6d58c63
  Francesco Troisi authored Jul 26, 2023
  
  f6d58c63
Jul 25, 2023
- Delete output_me_inc · cf59a1ed
  Francesco Troisi authored Jul 25, 2023
  
  cf59a1ed
- Merge branch 'main' of https://gitlab.com/octopus-code/octopus · 46b670aa
  Francesco Troisi authored Jul 25, 2023
  
  46b670aa
Jul 24, 2023
- Merge branch 'fix_compiler_warnings2' into 'main' · 24d4019d
  Alex Buccheri authored Jul 24, 2023
  24d4019d
- Merge branch 'charged_particles' into 'main' · 57c9513a
  Nicolas Tancogne-Dejean authored Jul 24, 2023
  57c9513a
- Addresses some compiler warnings (GFortran) · 5f1b6cee
  Nicolas Tancogne-Dejean authored Jul 17, 2023 and Alex Buccheri committed Jul 24, 2023
  5f1b6cee
- Merge branch 'fix_energy_density' into 'main' · e921e390
  Sebastian Ohlmann authored Jul 24, 2023
  e921e390
- Fixed diamagnetic term for circularly polarized light · a5586e2f
  Francesco Troisi authored Jul 24, 2023
  
  a5586e2f
- Merge branch 'matrix_elements_refactor' into 'main' · fe13c1f1
  Martin Lueders authored Jul 24, 2023
  fe13c1f1
- Merge branch 'fix_profiling_names_field_transfer' into 'main' · 7d15f4a4
  Sebastian Ohlmann authored Jul 24, 2023
  7d15f4a4
- Prepend d or z to the profiling name · 6dcfc569
  Franco Bonafé authored Jul 24, 2023
  
  6dcfc569
- Add check for the energy density · abdc8127
  Sebastian Ohlmann authored Jul 24, 2023
  
  abdc8127
- Fix output of energy density · b07f1464
  Sebastian Ohlmann authored Jul 24, 2023
  b07f1464
Jul 22, 2023
- Fixed segmentation fault · c31cb27d
  Francesco Troisi authored Jul 22, 2023
  
  c31cb27d
- Distcheck fix (line too long) · ec6b4d2f
  Francesco Troisi authored Jul 21, 2023
  
  ec6b4d2f
- Fixed kpt bug in multipoles, the me was computed always for the first kpt · b4204384
  Francesco Troisi authored Jul 21, 2023
  
  b4204384
- Moved ks_multipoles routines. Updated dependencies · 02dce69c
  Francesco Troisi authored Jul 21, 2023
  
  02dce69c
- Moved dipole me calculation · a7e746b3
  Francesco Troisi authored Jul 20, 2023
  
  a7e746b3
- Moved one body and two body routines · 2739a25e
  Francesco Troisi authored Jul 20, 2023
  
  2739a25e
- Created elec_matrix_elements module. Moved momentum and ang_momentum me calculations · 4963b1b5
  Francesco Troisi authored Jul 20, 2023
  
  4963b1b5
Jul 21, 2023
- Merge branch 'fix_rs_state_selected_points' into 'main' · e8eb8b80
  Sebastian Ohlmann authored Jul 21, 2023
  e8eb8b80
- Output real and imaginary part of dipole elements · 7479c00e
  Francesco Troisi authored Jul 21, 2023
  
  7479c00e
- Enable the first Maxwell test in parallel · 9aae03e2
  Sebastian Ohlmann authored Jul 21, 2023
  9aae03e2
- Merge branch 'tutorial_profiling' · 80ed1575
  Martin Lueders authored Jul 21, 2023
  
  80ed1575
- Fix get_rs_state_batch_selected_points in parallel · 851fb94c
  Sebastian Ohlmann authored Jul 21, 2023
  851fb94c
- Merge branch 'improve_ondemand_quantities' into 'main' · ef87eb82
  Sebastian Ohlmann authored Jul 21, 2023
  ef87eb82
- Add code style · 2c00c763
  Sebastian Ohlmann authored Jul 21, 2023
  
  2c00c763
- Introduce a charged_particles_t class derived from classical_particles_t. Make... · aff76632
  Micael Oliveira authored Jan 05, 2022
  aff76632
- Ions now explicitly store the charge of the atoms in one single array. This... · 49cfe109
  Micael Oliveira authored Jan 04, 2022
  49cfe109
- Remove uses of species_oct_m that are not needed anymore. · ec87d769
  Micael Oliveira authored Jan 04, 2022
  
  ec87d769
Jul 20, 2023
- Merge branch 'forbidden_output' into 'main' · 36f57110
  Martin Lueders authored Jul 20, 2023
  36f57110
- update tolerance for ppc_mpi builder · b4cf77cc
  Martin Lueders authored Jul 20, 2023
  
  b4cf77cc
- removed wrong test in output_init · 215ba2bd
  Martin Lueders authored Jul 20, 2023
  
  215ba2bd
- fix problem when using spinors and independent particles · 3cefa153
  Martin Lueders authored Jul 19, 2023
  
  3cefa153
- Merge branch 'fullerene_test_update' into 'main' · 94dfd63c
  Martin Lueders authored Jul 20, 2023
  94dfd63c
- updated references and tolerances · eeee9385
  Martin Lueders authored Jul 20, 2023
  
  eeee9385