Commits · 8.4 · Steven Kirk / octopus · GitLab

Feb 08, 2019
- Merge branch 'hotfix-8.4' · 427c4df0
  Micael Oliveira authored Feb 08, 2019
  
  View commits for tag 8.4 8.4
  427c4df0
- Bump version to 8.4 · 6b9342d0
  Micael Oliveira authored Feb 08, 2019
  
  6b9342d0
Feb 07, 2019
- Merge branch 'hotfix-long_lines' into hotfix-8.4 · e2b26f4c
  Micael Oliveira authored Feb 07, 2019
  
  e2b26f4c
- Do not include macros in fortran comments. · f830ca39
  Micael Oliveira authored Feb 07, 2019
  
  f830ca39
- Break the allocate statement into several lines in order to decrease the line lenght. · c3c41944
  Micael Oliveira authored Feb 07, 2019
  
  c3c41944
- Fix long lines so we can compile with GCC without having to pass the -ffree-line-length-none flag. · dcad76eb
  Micael Oliveira authored Feb 07, 2019
  
  dcad76eb
Dec 06, 2018
- Merge branch 'hotfix-adsic' into 'hotfix-8.4' · 4ddb698d
  Micael Oliveira authored Dec 06, 2018
  4ddb698d
Dec 05, 2018
- Fixed ADSIC for the spin polarized case. · 81c32df5
  Shunsuke A. Sato authored Dec 04, 2018 and Micael Oliveira committed Dec 05, 2018
  
  81c32df5
Dec 04, 2018
- Merge branch 'hotfix-display_dos_symmetries' into 'hotfix-8.4' · a7571cd8
  Micael Oliveira authored Dec 04, 2018
  a7571cd8
- The calculation of the DOS that is displayed on the screen was not correct in... · b9ecb582
  Nicolas Tancogne-Dejean authored Dec 04, 2018
  b9ecb582
- Merge branch 'forbid-tdfreezeorbitals_mgga' into hotfix-8.4 · 442ac3a0
  Micael Oliveira authored Dec 04, 2018
  
  442ac3a0
Dec 03, 2018
- Forbid to use TDFreezeOrbitals with MGGAs. · ea297582
  Nicolas Tancogne-Dejean authored Nov 23, 2018 and Micael Oliveira committed Dec 03, 2018
  
  ea297582
Nov 30, 2018
- Merge branch 'hotfix_tdfreezeorbitals_spin' into hotfix-9.4 · fcd90eff
  Micael Oliveira authored Nov 30, 2018
  
  fcd90eff
- Merge branch 'hotfix_unit_KED' into hotfix-8.4 · 6c97210f
  Micael Oliveira authored Nov 30, 2018
  
  6c97210f
Nov 23, 2018
- Fix the dimension of the frozen density. · 906d865c
  Nicolas Tancogne-Dejean authored Nov 23, 2018
  
  906d865c
Nov 22, 2018
- Fix the unit of the output kinetic_energy_density. · aeb73662
  Nicolas Tancogne-Dejean authored Nov 22, 2018
  
  aeb73662
Nov 16, 2018
- Merge branch 'hotfix-xml_pseudo_valence_charge' into hotfix-8.4 · 2a58db4b
  Micael Oliveira authored Nov 16, 2018
  
  2a58db4b
- Merge branch 'hotfix_Cu_Cm' into hotfix-8.4 · 85d64baa
  Micael Oliveira authored Nov 16, 2018
  
  85d64baa
- The valence charge of a pseudopotential is allowed to be fractionary.... · d2132d5c
  Micael Oliveira authored Nov 16, 2018
  d2132d5c
Nov 15, 2018
- Fix the atomic number of the thallium for HGH pseudopotentials with semicore states. · 22d953bb
  Nicolas Tancogne-Dejean authored Nov 15, 2018
  
  22d953bb
- Adding the missing line for the Copernicium. · 27e59dad
  Nicolas Tancogne-Dejean authored Nov 15, 2018
  
  27e59dad
- Correct the symbol of the Curium (Cm) in elements.dat. · 9ee4af4a
  Nicolas Tancogne-Dejean authored Nov 15, 2018
  
  9ee4af4a
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