Commits · 86c0c1593dbc7c3200086333c78919b6a83d2020 · octopus-code / octopus · GitLab

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Project 'rbgreenwich/packages/greenwich_base' was moved to 'rbgreenwich/dev/packages/greenwich_base'. Please update any links and bookmarks that may still have the old path.

Jun 17, 2020
- Merge branch '333-Add-Lorentz-force-for-charged-particles' into 'develop' · 86c0c159
  Micael Oliveira authored 4 years ago
  86c0c159
- Merge branch 'ion_ion_parallel_atoms' into 'develop' · b23d9ae9
  Micael Oliveira authored 4 years ago
  b23d9ae9
- Merge branch 'namespace_interaction_update' into 'develop' · d288e214
  Micael Oliveira authored 4 years ago
  d288e214
Jun 16, 2020
- Fix the reductions. · 338f7922
  Nicolas Tancogne-Dejean authored 4 years ago
  
  338f7922
- Adding the namespace to the update and calculate routines. · 630049ce
  Nicolas Tancogne-Dejean authored 4 years ago
  
  630049ce
- The charged particle should only delegate to the classical particle the update... · 0e70de2e
  Micael Oliveira authored 4 years ago
  0e70de2e
- Add Lorentz force for charged classical particles. · fcac9675
  Heiko Appel authored 4 years ago and Micael Oliveira committed 4 years ago
  
  fcac9675
- Merge branch 'fix_some_maxwell_issues' into 'develop' · e37d40ad
  Micael Oliveira authored 4 years ago
  e37d40ad
Jun 15, 2020
- Fix indentation. · ba04d862
  Micael Oliveira authored 4 years ago
  
  ba04d862
- Variables with intent(out) must always be set, otherwise they might become... · 666089c9
  Micael Oliveira authored 4 years ago
  666089c9
- Fix several intents. · 275086e0
  Micael Oliveira authored 4 years ago
  
  275086e0
- Initialize to false all booleans in hamiltonian_mxll. · 03ed7c93
  Micael Oliveira authored 4 years ago
  
  03ed7c93
- Fix access to optional variable in propagator_mxll. · 7f9f6eec
  Micael Oliveira authored 4 years ago
  
  7f9f6eec
- Style fixes to maxwell_boundary_op. · 1d29be35
  Micael Oliveira authored 4 years ago
  
  1d29be35
- Make sure all memory is deallocate in maxwell_boundary_op. · 8acc877f
  Micael Oliveira authored 4 years ago
  8acc877f
- Fix incorrect intent in constant_boundaries_calculation · 53fb8eca
  Micael Oliveira authored 4 years ago
  
  53fb8eca
- Call missing parse_block_end · 57bb92bd
  Micael Oliveira authored 4 years ago
  
  57bb92bd
Jun 12, 2020
- Merge branch '342-Enable-static-magnetic-fields-in-Maxwell-code' into develop · a5e69522
  Heiko Appel authored 4 years ago
  Verified
  
  a5e69522
Jun 11, 2020
- Allow for changes in the spatially constant field by Maxwell propagation and... · ef1b008a
  Franco Bonafé authored 4 years ago
  ef1b008a
- Merge branch 'remove_single_precision2' into 'develop' · ba6aded7
  Micael Oliveira authored 4 years ago
  ba6aded7
- Merge branch 'slater' into 'develop' · 7b18cca1
  Micael Oliveira authored 4 years ago
  7b18cca1
- Use mc%mastercomm instead of MPI_COMM_WORLD. · 97787473
  Nicolas Tancogne-Dejean authored 4 years ago
  
  97787473
- Merge branch 'fix_calc_quantities_spinors' into 'develop' · d31f672d
  Micael Oliveira authored 4 years ago
  d31f672d
- Merge branch 'test_12-mix_and_match_cleanup' into 'develop' · 3a60a901
  Micael Oliveira authored 4 years ago
  3a60a901
- Remove unused code. · 40e05438
  Nicolas Tancogne-Dejean authored 4 years ago and Micael Oliveira committed 4 years ago
  
  40e05438
- Merge branch '184-lda_u.F90_doesn't_follow_coding_standards' into 'develop' · 4e81da9e
  Micael Oliveira authored 4 years ago
  4e81da9e
- Removed 'fast' from the filename for Slater test to make it consistent with the functional name. · 3f9e4fc1
  Micael Oliveira authored 4 years ago
  
  3f9e4fc1
Jun 10, 2020
- Merge branch 'forces_profiling' into 'develop' · 9e4b5528
  Heiko Appel authored 4 years ago
  9e4b5528
- add separator to the subroutines · aa4ffa6c
  Meisam Tabriz authored 4 years ago
  
  aa4ffa6c
- Possible fix for calculations with constant external fields within Maxwell · 8bcd5773
  Franco Bonafé authored 4 years ago
  
  8bcd5773
- Making the names more explicit. · f5471383
  Nicolas Tancogne-Dejean authored 4 years ago
  
  f5471383
- Fixing conflict with develop. · 4a3f8536
  Nicolas Tancogne-Dejean authored 4 years ago
  
  4a3f8536
- Bugfixes for the calculation of the paramagnetic current and KED for spinors and k-points. · 1a915031
  Nicolas Tancogne-Dejean authored 4 years ago
  
  1a915031
- harmonize the test 12 name with the rest · 95bb42c2
  Meisam Tabriz authored 4 years ago
  
  95bb42c2
- style fixes · e6845977
  Meisam Tabriz authored 4 years ago
  e6845977
Jun 09, 2020
- Merge branch '330-Add-class-for-charged-particles' into develop · fbdb3dca
  Heiko Appel authored 4 years ago
  Verified
  
  fbdb3dca
- The ion-ion interaction is now parallelized over atoms. · d43c4948
  Nicolas Tancogne-Dejean authored 4 years ago
  
  d43c4948
- Add charged particles to the system factory and the multisystem · c6f5b11c
  Heiko Appel authored 4 years ago
  Verified
  
  c6f5b11c
- Add class charged_particle derived from classical_particle. · a9b0d58d
  Heiko Appel authored 4 years ago
  
  Verified
  
  a9b0d58d
- The functional list is obtained from libxc 4.3.1, as lda_1d changed name in... · 1cf66a31
  Nicolas Tancogne-Dejean authored 4 years ago
  1cf66a31