Commits · develop · Gabriel José Gil Pérez / octopus · GitLab

May 27, 2019
- Merge branch 'remove_annoying_qmr_warning' into 'develop' · 325d62e5
  Xavier Andrade authored May 27, 2019
  325d62e5
May 26, 2019
- Removed the warning from QMR about convergence. It pollutes the output · 1a5084b1
  Xavier Andrade authored May 25, 2019
  1a5084b1
May 25, 2019
- Merge branch 'port_gpu_testsuite_fixes' into 'develop' · a1a3cf11
  Xavier Andrade authored May 25, 2019
  a1a3cf11
- Merge branch 'hotfix-9.1' into develop · 6f026945
  Micael Oliveira authored May 25, 2019
  
  6f026945
- some cleanup and comments · b6c54f74
  Martin Lueders authored May 25, 2019
  
  b6c54f74
- Added a missing input file to the · 3b1522b9
  Alberto Castro authored May 20, 2019
  3b1522b9
- further testsuite tweeks · d7435044
  Martin Lueders authored May 16, 2019
  
  d7435044
- fixed MeshBlockSize for lda_u/09-basis_from_states.01-lda.inp · 51c52457
  Martin Lueders authored May 15, 2019
  
  51c52457
- Merge branch 'gpu_block_parallel_states_hf' into 'develop' · f7258214
  Xavier Andrade authored May 25, 2019
  f7258214
- Disable acceleration for the B3LYP test. · 1e492cfb
  Xavier Andrade authored May 25, 2019
  
  1e492cfb
- Corrected the assertion. · 7627966a
  Xavier Andrade authored May 25, 2019
  
  7627966a
- Merge branch 'fix_dftu_nonpseudo' into 'develop' · 65feec73
  Micael Oliveira authored May 25, 2019
  65feec73
- Merge branch 'GPU-testsuite-fixes' into 'hotfix-9.1' · 3cd4fdab
  Micael Oliveira authored May 25, 2019
  3cd4fdab
- some cleanup and comments · 25cd88fd
  Martin Lueders authored May 25, 2019
  
  25cd88fd
- Stop the code with an error with GPU + state-parallelization + · f6b1b238
  Xavier Andrade authored May 25, 2019
  f6b1b238
- Added an assertion to detect the error. · d5193e5d
  Xavier Andrade authored May 25, 2019
  
  d5193e5d
- Merge branch 'fix_submesh_overlap' into 'develop' · a2dd75e8
  Xavier Andrade authored May 25, 2019
  a2dd75e8
- Some precision adjustments. · cb6a4a25
  Xavier Andrade authored May 25, 2019
  
  cb6a4a25
- A few test result had a slight change, this is probably caused by a · fed00479
  Xavier Andrade authored May 24, 2019
  fed00479
May 24, 2019
- Speed up the overlap check for finite systems. · 0ecfbec6
  Xavier Andrade authored May 24, 2019
  
  0ecfbec6
- The overlap function must be globally consistent, otherwise the atoms · 5a0932a3
  Xavier Andrade authored May 24, 2019
  5a0932a3
- Merge branch 'optimize_reductions' into 'develop' · 0960fa33
  Micael Oliveira authored May 24, 2019
  0960fa33
- The reduction was done twice for states parallelization. · 54d672b4
  Nicolas Tancogne-Dejean authored May 24, 2019
  
  54d672b4
- Merge branch 'fix_precision' into 'develop' · 2e35b7ed
  Xavier Andrade authored May 24, 2019
  2e35b7ed
- Merge branch 'fix_comment' into 'develop' · f19dc8cb
  Xavier Andrade authored May 24, 2019
  f19dc8cb
- Bugfix: directly check the list of points to check the overlap between · 07b7b220
  Xavier Andrade authored May 24, 2019
  07b7b220
May 23, 2019
- Merge branch 'fix_make_overlap_consistent_among_nodes' into 'develop' · aad46d7e
  Xavier Andrade authored May 23, 2019
  aad46d7e
- Add a missing double precision argument for the real part in TD projections. · a45ad36b
  Nicolas Tancogne-Dejean authored May 23, 2019
  
  a45ad36b
- Fix a comment that was not correctly describing what the routine does. · dc2e1fdc
  Nicolas Tancogne-Dejean authored May 23, 2019
  
  dc2e1fdc
- Reduce 'overlap' over domains, to make it consistent. · 8ebd46d0
  Xavier Andrade authored May 23, 2019
  
  8ebd46d0
- Merge branch 'fix_overlap' into 'develop' · d652d776
  Xavier Andrade authored May 23, 2019
  d652d776
May 22, 2019
- Bugfix: the value of overlap was ignored by submesh_broadcast. · f690f114
  Xavier Andrade authored May 22, 2019
  
  f690f114
- Merge branch 'gpu_current' into 'develop' · 6e8e6169
  Xavier Andrade authored May 22, 2019
  6e8e6169
- Merge branch 'GPU-device-select' into 'develop' · 858762bb
  Xavier Andrade authored May 22, 2019
  858762bb
- Small fix in the calculation of the current. · 1dac7f40
  Xavier Andrade authored May 22, 2019
  
  1dac7f40
- Initial implementation of the direct calculation of the current with · 37edd206
  Xavier Andrade authored May 22, 2019
  37edd206
- Directly calculate the current from the batch data. · 9d3bdb3c
  Xavier Andrade authored May 22, 2019
  
  9d3bdb3c
- Moved the accumulation of the current to its own function. · 25dca3af
  Xavier Andrade authored May 22, 2019
  
  25dca3af
- The phase was missing for the position-projector commutator on the GPU. · 61154642
  Xavier Andrade authored May 21, 2019
  
  61154642
- Added the complex substraction operation. · 71249da4
  Xavier Andrade authored May 21, 2019
  
  71249da4