Commits · 8.3 · MUHAMMAD UMAR FAROOQ / octopus · GitLab

Nov 13, 2018
- Merge branch 'hotfix-8.3' into 'master' · 9c0b2d26
  Micael Oliveira authored Nov 13, 2018
  View commits for tag 8.3 8.3
  9c0b2d26
- Bumping version number to 8.3. · 41b69eec
  Micael Oliveira authored Nov 13, 2018
  
  41b69eec
- Merge branch 'hotfix-ewald_long_2D' into 'hotfix-8.3' · b6c06391
  Micael Oliveira authored Nov 13, 2018
  b6c06391
Nov 12, 2018
- Merge branch 'hotfix-divergence_nonorthogonal' into 'hotfix-8.3' · 93f353a8
  Micael Oliveira authored Nov 12, 2018
  93f353a8
- The value dz_max was not correctly computed for the Ewald_long-2D routine. · 422843f2
  Nicolas Tancogne-Dejean authored Nov 12, 2018
  
  422843f2
- Disabling lda_u/07-noncollinear.test. This test requires changes that will... · d03a5552
  Micael Oliveira authored Nov 12, 2018
  d03a5552
Nov 09, 2018
- Merge branch 'hotfix-8.3' into hotfix-divergence_nonorthogonal · 0411de60
  Micael Oliveira authored Nov 09, 2018
  
  0411de60
- Merge branch 'hotfix-openmp_private' into hotfix-8.3 · 459c7a55
  Micael Oliveira authored Nov 09, 2018
  
  459c7a55
- Merge branch 'hotfix-push_pop' into hotfix-8.3 · 3879c83b
  Micael Oliveira authored Nov 09, 2018
  
  3879c83b
Oct 26, 2018
- Fix some indentation problem. · b2a75521
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  
  b2a75521
- Add a missing variable as private, and add a region as critical, as more than... · 2786e175
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  2786e175
- These variables should be private. · f459ab47
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  
  f459ab47
- The variable bind should also be private here, otherwise causing problems for spinors. · a80b9164
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  
  a80b9164
- Fix two missing private variables, one for the local potential for spinors in... · 5af7c71f
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  5af7c71f
- Fix a missing private variable for the OpenMP parallelization in operate_non_const_weights. · 7cfef79c
  Nicolas Tancogne-Dejean authored Oct 26, 2018
  
  7cfef79c
Oct 14, 2018
- Fix the push/pop name. · ff2010b3
  Nicolas Tancogne-Dejean authored Oct 14, 2018
  
  ff2010b3
- Fix the exit condition. · 42e68196
  Nicolas Tancogne-Dejean authored Oct 14, 2018
  
  42e68196
Oct 04, 2018
- Merge branch 'hotfix-forbid_move_ions_with_nlcc_ldau' into 'hotfix-8.3' · f0dc0129
  Micael Oliveira authored Oct 04, 2018
  f0dc0129
- Forbid to run some td calculations, as a term is missing in the Hamiltonian. · fb4ecfc8
  Nicolas Tancogne-Dejean authored Oct 02, 2018 and Micael Oliveira committed Oct 04, 2018
  
  fb4ecfc8
- Merge branch 'hotfix-8.3' into hotfix-divergence_nonorthogonal · c37fb1b8
  Micael Oliveira authored Oct 04, 2018
  
  c37fb1b8
Oct 03, 2018
- Update of the test for noncolinear spin and DFT+U. · fe511019
  Nicolas Tancogne-Dejean authored Oct 03, 2018
  
  fe511019
Oct 02, 2018
- Updating some of the tests after the bugfix on GGAs. · b28602fb
  Nicolas Tancogne-Dejean authored Oct 02, 2018
  
  b28602fb
- Fix the calculation of the divergence for non-orthogonal cells. · 47fc20e8
  Nicolas Tancogne-Dejean authored Oct 02, 2018
  
  47fc20e8
- Merge branch 'hotfix-condition_cg' into 'hotfix-8.3' · 596a34cc
  Micael Oliveira authored Oct 02, 2018
  596a34cc
- Recentring reference and updating tolerance for linear_response/06-vib_modes_fd.test. · b1a90716
  Micael Oliveira authored Oct 02, 2018
  
  b1a90716
Sep 28, 2018
- Recentring references and updating tolerances for three tests. · 2ebb60b6
  Micael Oliveira authored Sep 28, 2018
  
  2ebb60b6
- Merge branch 'hotfix-xcrysden_output_nonortho' into 'hotfix-8.3' · 13c222c1
  Micael Oliveira authored Sep 28, 2018
  13c222c1
Sep 27, 2018
- Fix the reciprocal lattice vectors of the xcrysden output, which was the... · 8142daab
  Nicolas Tancogne-Dejean authored Sep 27, 2018
  8142daab
Aug 29, 2018
- The preconditioned steepest-descent eigensolver was actually not using the... · 887afa73
  Micael Oliveira authored Aug 29, 2018
  887afa73
- The PSD eigensolver tests needs to run with 2 processes. · 43a6e61e
  Micael Oliveira authored Aug 29, 2018
  
  43a6e61e
- Lets make sure that all the states are really converged in the modelmb test. · 1a67709c
  Micael Oliveira authored Aug 29, 2018
  
  1a67709c
- Update modelmb test. · 46ba39dd
  Micael Oliveira authored Aug 29, 2018
  
  46ba39dd
Aug 27, 2018
- Add test for psd eigensolver. · 65770354
  Micael Oliveira authored Aug 27, 2018
  
  65770354
- Fix incorrect condition: subspace diagonalization was always done twice for... · 050235f0
  Micael Oliveira authored Aug 27, 2018
  050235f0
- Fix the condition for the cg algorithm. · 5abfd630
  Nicolas Tancogne-Dejean authored Aug 26, 2018 and Micael Oliveira committed Aug 27, 2018
  
  5abfd630
Aug 11, 2018
- Merge branch 'fix_broyden_limit' into 'hotfix-8.3' · 20889d96
  Micael Oliveira authored Aug 11, 2018
  20889d96
Aug 10, 2018
- This is the max that was intended here, not the min. · 460c74d3
  Nicolas Tancogne-Dejean authored Aug 10, 2018
  
  460c74d3
- Merge branch 'fix_LocalMagneticMomentsSphereRadius_periodic' into 'hotfix-8.3' · c207a1d3
  Micael Oliveira authored Aug 10, 2018
  c207a1d3
Aug 09, 2018
- The analytical continuation was not done properly. · 81bd65d2
  Nicolas Tancogne-Dejean authored Aug 09, 2018
  
  81bd65d2
- Bugfix: The value of LocalMagneticMomentsSphereRadius for the case of a single... · 51003d7b
  Nicolas Tancogne-Dejean authored Aug 08, 2018 and Micael Oliveira committed Aug 09, 2018
  51003d7b