Commits · 11.3 · Sebastian Ohlmann / octopus · GitLab

Nov 25, 2021
- updated version number · 72cb5178
  Martin Lueders authored Nov 25, 2021
  
  View commits for tag 11.3 11.3
  72cb5178
Nov 19, 2021
- Merge branch 'force_efield' into 'hotfix-11.3' · 422d8112
  Micael Oliveira authored Nov 19, 2021
  422d8112
- Merge branch '528-fix-documention-on-unit-tests' into 'hotfix-11.3' · 39cc7df9
  Martin Lueders authored Nov 19, 2021
  39cc7df9
- changed Unittests category to Calculation Modes::Test and fixed OEPMixingScheme description · e2254ecc
  Martin Lueders authored Nov 19, 2021
  
  e2254ecc
- The initialization needs to be done before computing the forces. · b75173a0
  Nicolas Tancogne-Dejean authored Nov 19, 2021
  
  b75173a0
Nov 18, 2021
- fixed Unittests in doc/html/vars/Makefile.am · 887c447b
  Martin Lueders authored Nov 17, 2021
  
  887c447b
Nov 17, 2021
- added Unittests to doc/html/vars/Makefile.am · be138542
  Martin Lueders authored Nov 17, 2021
  
  be138542
- fixed accidental garbage in test.F90 · 3dea991d
  Martin Lueders authored Nov 17, 2021
  
  3dea991d
Nov 16, 2021
- changed category in Variable description for unit tests · e82066f7
  Martin Lueders authored Nov 16, 2021
  
  e82066f7
Nov 15, 2021
- Merge branch 'fix_restart_segfault' into 'hotfix-11.3' · f9eebe2a
  Sebastian Ohlmann authored Nov 15, 2021
  f9eebe2a
Nov 11, 2021
- Avoid a segmentation fault in case of restarting with state parallelization and k-points. · 3212f529
  Nicolas Tancogne-Dejean authored Nov 09, 2021
  
  3212f529
Nov 09, 2021
- Merge branch '515-uninitialized-mixer' into 'hotfix-11.3' · e4ba9c73
  Nicolas Tancogne-Dejean authored Nov 09, 2021
  e4ba9c73
Nov 05, 2021
- Fix a bug that was preventing to get the output forces_separate in case of not moving ions. · 86b4e7f0
  Nicolas Tancogne-Dejean authored Nov 05, 2021
  
  86b4e7f0
- Merge branch 'fix_error_message' into 'hotfix-11.3' · 04e084ab
  Micael Oliveira authored Nov 05, 2021
  04e084ab
- Merge branch 'fix_spec_index' into 'hotfix-11.3' · 9f6040b3
  Micael Oliveira authored Nov 05, 2021
  9f6040b3
- Improve the comparison of the species by adding a routine that is more robbust... · 6fc30ac3
  Nicolas Tancogne-Dejean authored Nov 05, 2021
  6fc30ac3
- Fix an error message and remove an unecessary double test. · a2eb4277
  Nicolas Tancogne-Dejean authored Nov 05, 2021
  
  a2eb4277
- Update tolerances for lda_u/02-ACBN0.test. · 7a0bd6a1
  Micael Oliveira authored Nov 05, 2021
  
  7a0bd6a1
Nov 04, 2021
- Fix a bug in the calculation of forces coming from the electric field, in case... · 412551a5
  Nicolas Tancogne-Dejean authored Nov 04, 2021
  412551a5
- added another check for MIXFIELD__NONE · 21b03dbd
  Martin Lueders authored Nov 04, 2021
  
  21b03dbd
- Fixes a problem that could occur with the ACBN0 functional when defining species like · 5bcbf58b
  Nicolas Tancogne-Dejean authored Nov 04, 2021
  5bcbf58b
Nov 03, 2021
- Fix the number of character printed in the header of the file spin_susceptibility. · 9db3a85c
  Nicolas Tancogne-Dejean authored Nov 03, 2021
  
  9db3a85c
- added MIXFIELD__NONE check · 3004eb0a
  Martin Lueders authored Nov 03, 2021
  
  3004eb0a
Nov 02, 2021
- Merge branch 'fix-description-of-OEPMixingScheme-in-documentation' into 'hotfix-11.3' · 4763e0f2
  Micael Oliveira authored Nov 02, 2021
  4763e0f2
Nov 01, 2021
- adding spaces · a3711944
  Johannes Flick authored Oct 29, 2021 and Micael Oliveira committed Nov 01, 2021
  
  a3711944
Oct 22, 2021
- Merge branch 'fix_blas' into 'hotfix-11.3' · 1aedd3b2
  Micael Oliveira authored Oct 22, 2021
  1aedd3b2
Oct 21, 2021
- Fixes an assert for the gemm1 BLAS interface. · d1df22b4
  Nicolas Tancogne-Dejean authored Oct 21, 2021
  
  d1df22b4
Oct 20, 2021
- Merge branch 'update_tutorials' into 'hotfix-11.3' · 8ef2d8a8
  Martin Lueders authored Oct 20, 2021
  8ef2d8a8
- Merge branch 'fix_tutorials' into 'hotfix-11.3' · f1f23c62
  Martin Lueders authored Oct 20, 2021
  f1f23c62
- Add input files, gnuplot scripts and eps files for the optical spectra of... · 17700fbd
  Micael Oliveira authored Oct 20, 2021
  17700fbd
- Add gnuplot and eps file for the band-structure unfolding tutorial. · e651a2e3
  Micael Oliveira authored Oct 20, 2021
  
  e651a2e3
- Add input file for optional exercise from the 1d_harmonic_oscillator tutorial. · 4d532b02
  Micael Oliveira authored Oct 20, 2021
  
  4d532b02
- Add e-H scattering tutorial files. · d129df43
  Micael Oliveira authored Oct 20, 2021
  
  d129df43
Oct 19, 2021
- add missing files · 6085a1e2
  Martin Lueders authored Oct 19, 2021
  
  6085a1e2
Oct 18, 2021
- bump version number · 9318cf48
  Martin Lueders authored Oct 18, 2021
  
  View commits for tag 11.2 11.2
  9318cf48
- Si eps added · 15144294
  Martin Lueders authored Oct 06, 2021
  
  15144294
- fixed include_eps · 91101e32
  Martin Lueders authored Oct 06, 2021
  
  91101e32
- more #includes updated · ee6edfd8
  Martin Lueders authored Oct 06, 2021
  
  ee6edfd8
- removed trailing octopus/ · 36fb5a2b
  Martin Lueders authored Oct 05, 2021
  
  36fb5a2b
Oct 14, 2021
- Merge branch 'fix_dftu_max_n' into 'hotfix-11.2' · c5dabd81
  Martin Lueders authored Oct 14, 2021
  c5dabd81