Commits · 8.0 · MUHAMMAD UMAR FAROOQ / octopus · GitLab

Jun 15, 2018
- Merge branch 'release-8.0' into 'master' · 1ace85e6
  Micael Oliveira authored Jun 15, 2018
  View commits for tag 8.0 8.0
  1ace85e6
- Merge branch 'memory_leaks' into 'release-8.0' · b89b7a3e
  Micael Oliveira authored Jun 15, 2018
  b89b7a3e
- The nullify routine was not called if LDA+U was not used. · 02fe6f9c
  Nicolas Tancogne-Dejean authored Jun 15, 2018
  
  02fe6f9c
- calling balcs_exit(0) also calls mpi_finalize. The argument is changed to 1 to... · ac8f8477
  Nicolas Tancogne-Dejean authored Jun 15, 2018
  ac8f8477
- These variables were not initialized, causing a trouble on the powerpc. · 65ad3329
  Nicolas Tancogne-Dejean authored Jun 15, 2018
  
  65ad3329
Jun 14, 2018
- The array was not released at the end of the calculation. · 587de455
  Nicolas Tancogne-Dejean authored Jun 14, 2018
  
  587de455
- The LDA+U structure was never destroyed. · f2928534
  Nicolas Tancogne-Dejean authored Jun 14, 2018
  
  f2928534
- blacs_exit is called before mpi_finalize. · 1c3b7367
  Nicolas Tancogne-Dejean authored Jun 14, 2018
  
  1c3b7367
- Add the missing ifdef. · 09baff41
  Nicolas Tancogne-Dejean authored Jun 14, 2018
  
  09baff41
Jun 13, 2018
- Another memory leak in the subspace rotation. · c93523ef
  Nicolas Tancogne-Dejean authored Jun 13, 2018
  
  c93523ef
- Fix a memory leak in the subspace diagonalization. · 1c4ffc24
  Nicolas Tancogne-Dejean authored Jun 13, 2018
  
  1c4ffc24
- Update debian changelog. · db09e62e
  Micael Oliveira authored Jun 13, 2018
  
  db09e62e
- Updating version number. · 7e4b7559
  Micael Oliveira authored Jun 13, 2018
  
  7e4b7559
- Update info about releases. · 231972fe
  Micael Oliveira authored Jun 13, 2018
  
  231972fe
- Update author list. · d932d6da
  Micael Oliveira authored Jun 08, 2018
  
  d932d6da
- Merge branch 'fix_mpi_utils' into 'develop' · 376b5a90
  Micael Oliveira authored Jun 13, 2018
  376b5a90
- Merge branch 'fix_display_U' into 'develop' · 492cd11d
  Micael Oliveira authored Jun 13, 2018
  492cd11d
- Merge branch 'constrained_dft_u' into 'develop' · 24de1c8f
  Micael Oliveira authored Jun 13, 2018
  24de1c8f
- The routine blacs_exit was never called. · 113d7afe
  Nicolas Tancogne-Dejean authored Jun 13, 2018
  
  113d7afe
Jun 12, 2018
- When tools as used, this code must run in serial. · fa5e2d06
  Nicolas Tancogne-Dejean authored Jun 12, 2018
  
  fa5e2d06
- Add the missing conversion to the output units for the U. · bcfa450e
  Nicolas Tancogne-Dejean authored Jun 12, 2018
  
  bcfa450e
- Adding the possibility to constrain the occupations using the DFT+U part of the code. · 0147a562
  Nicolas Tancogne-Dejean authored Jun 12, 2018
  
  0147a562
May 31, 2018
- Merge branch 'lda_u' into 'develop' · 06269b44
  Micael Oliveira authored May 31, 2018
  06269b44
May 28, 2018
- This was not properly reverted. · f60b8ca2
  Nicolas Tancogne-Dejean authored May 28, 2018
  
  f60b8ca2
- Revert "The occupation matrices for DFT+U are now computed only in one place... · 1a7ea237
  Nicolas Tancogne-Dejean authored May 28, 2018
  1a7ea237
- The calculation of the occupation matrices is now done after the call to... · 1109ba16
  Nicolas Tancogne-Dejean authored May 28, 2018
  1109ba16
May 26, 2018
- The occupation matrices for DFT+U are now computed only in one place... · c0c133b4
  Nicolas Tancogne-Dejean authored May 26, 2018
  c0c133b4
- Remove upper case variables. · 6878afa3
  Nicolas Tancogne-Dejean authored May 26, 2018
  
  6878afa3
May 25, 2018
- * Getting rid of the multicomm, which was not needed anymore. · b9859670
  Nicolas Tancogne-Dejean authored May 25, 2018
  b9859670
- Correct the wrong description of the variable. · 996fd9ac
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  996fd9ac
- Changing the name of the variable to be more explicit. · 1ebd29ea
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  1ebd29ea
- Remove unneeded commented lines. · 30c84c7f
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  30c84c7f
- Removing a left over from svn. · 7a97b474
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  7a97b474
- Removing a module that is not needed anymore. · 4e568569
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  4e568569
- Aligning the intents. · e4e9e10b
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  e4e9e10b
- Removing commented lines. · b50bc656
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  b50bc656
- Changing the .gitignore file to be the same as develop. · f0c43426
  Nicolas Tancogne-Dejean authored May 25, 2018
  
  f0c43426
May 24, 2018
- Changing the precision of one value, as it is only failing on only one builder. · 3007e86d
  Nicolas Tancogne-Dejean authored May 24, 2018
  
  3007e86d
- Fix incorrect indices in the test lda_u/02-ACBN0.test. · b1a4ee5c
  Nicolas Tancogne-Dejean authored May 24, 2018
  
  b1a4ee5c
- Making the test lda_u/02-ACBN0.test faster. · 7dd3c787
  Nicolas Tancogne-Dejean authored May 24, 2018
  
  7dd3c787