Commits · 10.4 · octopus-code / octopus · GitLab

Feb 04, 2021
- bumped version number to 10.4 · 76382e15
  Martin Lueders authored Feb 04, 2021
  
  View commits for tag 10.4 10.4
  
  76382e15
Jan 18, 2021
- Update test tolerance. · 29e7e10d
  Micael Oliveira authored Jan 18, 2021
  
  29e7e10d
Jan 15, 2021
- Merge branch 'fix_oep_bb_mixing' into 'hotfix-10.4' · 6f5b74a6
  Micael Oliveira authored Jan 15, 2021
  6f5b74a6
Jan 14, 2021
- Fix a wrong copy of to the old vxc potential for BB mixing of OEP. · 63cd41e0
  Nicolas Tancogne-Dejean authored Jan 14, 2021
  
  63cd41e0
- Merge branch 'fix_f_orbitals' into 'hotfix-10.4' · b270a916
  Micael Oliveira authored Jan 14, 2021
  b270a916
- Adding the support for f orbitals in the ylmr routine. · 7c64862f
  Nicolas Tancogne-Dejean authored Jan 14, 2021
  
  7c64862f
Dec 08, 2020
- Merge branch 'fix_cg' into 'hotfix-10.4' · 0e2be4f8
  Micael Oliveira authored Dec 08, 2020
  0e2be4f8
- Update tests. · ffa050cb
  Micael Oliveira authored Dec 08, 2020
  
  ffa050cb
Dec 07, 2020
- Small cleaning of the code. · cbaa6152
  Nicolas Tancogne-Dejean authored Dec 03, 2020 and Micael Oliveira committed Dec 07, 2020
  
  cbaa6152
Dec 03, 2020
- We now remove from the steepest-descent vector psi before doing the... · e6f418f0
  Nicolas Tancogne-Dejean authored Dec 03, 2020
  e6f418f0
- Fix the type of dot, which should be complex for complex wavefunctions. · bc2b7c35
  Nicolas Tancogne-Dejean authored Dec 03, 2020
  
  bc2b7c35
Nov 27, 2020
- Make sure ks%calc%time is always initialized, as it might be used when t=0 but... · c4dc9e32
  Micael Oliveira authored Nov 12, 2020
  c4dc9e32
Nov 26, 2020
- Merge branch 'valgrind_fixes' into 'hotfix-10.4' · 51924db3
  Martin Lueders authored Nov 26, 2020
  51924db3
Nov 25, 2020
- Make sure the is_dressed component of poisson_t is always properly initialized... · cdb1e21f
  Micael Oliveira authored Nov 25, 2020
  cdb1e21f
- Add some missing deallocates. · 8e0488bb
  Micael Oliveira authored Nov 25, 2020
  
  8e0488bb
Nov 24, 2020
- Merge branch 'fix_criteria' into 'hotfix-10.4' · 3f7eae95
  Micael Oliveira authored Nov 24, 2020
  3f7eae95
Nov 23, 2020
- Fix several minor conversion problems with convergence criteria. · af80a590
  Nicolas Tancogne-Dejean authored Nov 23, 2020
  
  af80a590
Nov 18, 2020
- Merge branch 'fix_phase_init' into 'hotfix-10.4' · b4ebcff1
  Nicolas Tancogne-Dejean authored Nov 18, 2020
  b4ebcff1
- Phases were being built and sometimes applied even when running gamma-only calculations. · ace6f6ea
  Micael Oliveira authored Nov 17, 2020
  
  ace6f6ea
Nov 17, 2020
- Use the new kpoints_gamma_only function in a couple of places. · 81dfbab4
  Micael Oliveira authored Nov 17, 2020
  
  81dfbab4
- Add function to get if a k-point grid has only the gamma point or not. · 45984b32
  Micael Oliveira authored Nov 17, 2020
  
  45984b32
Nov 13, 2020
- Merge branch 'fix_symmetrization_lcao' into 'hotfix-10.4' · a78e1dfa
  Micael Oliveira authored Nov 13, 2020
  a78e1dfa
- Increase the tolerances of the lda_u/07.noncollinear test after the fix of the... · f811d2f0
  Nicolas Tancogne-Dejean authored Nov 12, 2020 and Micael Oliveira committed Nov 13, 2020
  f811d2f0
- Add a missing return. · 142d636a
  Nicolas Tancogne-Dejean authored Nov 12, 2020 and Micael Oliveira committed Nov 13, 2020
  
  142d636a
- Fix problems related to divisions by zero. · 33c85be8
  Nicolas Tancogne-Dejean authored Nov 10, 2020 and Micael Oliveira committed Nov 13, 2020
  
  33c85be8
Nov 12, 2020
- Merge branch 'fix_nik_axis' into 'hotfix-10.4' · 2db1a57c
  Micael Oliveira authored Nov 12, 2020
  2db1a57c
- Bugfix for nik_axis · 7fba04c8
  Nicolas Tancogne-Dejean authored Nov 12, 2020
  7fba04c8
Nov 10, 2020
- Bugfix for the dos · cb460b33
  Nicolas Tancogne-Dejean authored Nov 10, 2020
  cb460b33
Nov 09, 2020
- Merge branch 'hotfix-10.3' · d613b802
  Martin Lueders authored Nov 09, 2020
  
  View commits for tag 10.3 10.3
  d613b802
- bumbed version number to 10.3 · 5e24a9b2
  Martin Lueders authored Nov 09, 2020
  
  5e24a9b2
- Merge branch 'fix_multigrid' into 'hotfix-10.3' · cb80081d
  Micael Oliveira authored Nov 09, 2020
  cb80081d
Nov 06, 2020
- Fix a bug when using RMMDIIS and multigrid preconditioner. · 3c618456
  Nicolas Tancogne-Dejean authored Nov 06, 2020
  
  3c618456
- Fix an unused variable. · 7dfad580
  Nicolas Tancogne-Dejean authored Nov 06, 2020
  
  7dfad580
Nov 05, 2020
- Merge branch 'fix_uninitialized_variable' into 'hotfix-10.3' · 22f469c7
  Nicolas Tancogne-Dejean authored Nov 05, 2020
  22f469c7
- The arry num_sum_ops was allocated for the number of k-points even in the case... · 834b915c
  Nicolas Tancogne-Dejean authored Nov 05, 2020
  834b915c
- Merge branch 'fix_write_gaps' into 'hotfix-10.3' · 2e334675
  Micael Oliveira authored Nov 05, 2020
  2e334675
Nov 04, 2020
- Fix a typo in the test. · e0c7a6f6
  Nicolas Tancogne-Dejean authored Nov 04, 2020
  
  e0c7a6f6
- Merge branch 'fix_mf_dotp' into 'hotfix-10.3' · f5743406
  Micael Oliveira authored Nov 04, 2020
  f5743406
Nov 03, 2020
- Fix a problem that occurs when mf_dotp is called by DFT+U with domain... · 7357896e
  Nicolas Tancogne-Dejean authored Nov 03, 2020
  7357896e
- Merge branch 'update_more_tolerances' into 'hotfix-10.3' · bd05784c
  Martin Lueders authored Nov 03, 2020
  bd05784c