Commits · 14.1 · Timothy Bergstresser / gnome-octopus · GitLab

May 03, 2024
- bump version number · 54583eca
  Martin Lueders authored May 03, 2024
  
  View commits for tag 14.1 14.1
  54583eca
Apr 29, 2024
- Merge branch 'deprecate_autotools' into 'hotfix-14.1' · 34933767
  Nicolas Tancogne-Dejean authored Apr 29, 2024
  34933767
- extended printed message · d00af47d
  Martin Lueders authored Apr 29, 2024
  
  d00af47d
- introduce autotools deprecation warning · 74869744
  Martin Lueders authored Apr 29, 2024
  
  74869744
Apr 25, 2024
- Merge branch '970-update-tutorials-for-14-1' into 'hotfix-14.1' · 11935633
  Nicolas Tancogne-Dejean authored Apr 25, 2024
  11935633
Apr 24, 2024
- added page on CECAM school · bae4500c
  Martin Lueders authored Apr 24, 2024
  
  bae4500c
- updated magnons and qoct tutorials · 0676d738
  Martin Lueders authored Apr 24, 2024
  
  0676d738
Apr 22, 2024
- Merge branch 'fix_lrx' into 'hotfix-14.1' · 8a264338
  Martin Lueders authored Apr 22, 2024
  8a264338
- Fix the Poisson solver to avoid GPU-CPU discrepency. · f1a1afed
  Nicolas Tancogne-Dejean authored Apr 22, 2024
  
  f1a1afed
Apr 20, 2024
- The file was always closed even if not opened. This is now fixed. · 70e2d795
  Nicolas Tancogne-Dejean authored Apr 20, 2024
  
  70e2d795
Apr 19, 2024
- Merge branch 'minor_fixes' into 'hotfix-14.1' · b6caf805
  Martin Lueders authored Apr 19, 2024
  b6caf805
- Minor bugfixes · d06b1f61
  Nicolas Tancogne-Dejean authored Apr 18, 2024 and Martin Lueders committed Apr 19, 2024
  d06b1f61
- Fix the long-rancge correction · 6a810ff9
  Nicolas Tancogne-Dejean authored Apr 18, 2024
  6a810ff9
- Merge branch 'fix_use_after_free_warnings' into 'hotfix-14.1' · d9753259
  Nicolas Tancogne-Dejean authored Apr 19, 2024
  d9753259
- move wrong free() calls · 723eecb2
  Martin Lueders authored Apr 17, 2024
  
  723eecb2
- Merge branch 'fix_mgga_energy_gpu' into 'hotfix-14.1' · 1ff684d6
  Martin Lueders authored Apr 19, 2024
  1ff684d6
- Merge branch 'tutorial_transient_absorption' into 'hotfix-14.1' · 5a2cef42
  Martin Lueders authored Apr 19, 2024
  5a2cef42
- Merge branch 'fix_gpu' into 'hotfix-14.1' · b16ff287
  Martin Lueders authored Apr 19, 2024
  b16ff287
- Bugfix: vtau was not copied to the GPU before computing Int[n vxc]. · cfb62656
  Nicolas Tancogne-Dejean authored Apr 16, 2024 and Martin Lueders committed Apr 19, 2024
  
  cfb62656
- Fix initialization in warp reduction · 67afd7be
  Sebastian Ohlmann authored Apr 12, 2024 and Martin Lueders committed Apr 19, 2024
  
  67afd7be
- Change the loop extent in wardReduceShared · 77f10d2d
  Sebastian Ohlmann authored Apr 12, 2024 and Martin Lueders committed Apr 19, 2024
  77f10d2d
- Applying the suggestion of Henri on the fix of the kernel. · d851572f
  Henri Menke authored Feb 05, 2024 and Martin Lueders committed Apr 19, 2024
  
  d851572f
- Fixes a race condition in the kernel batch_dotpv. · 36159a4a
  Nicolas Tancogne-Dejean authored Oct 26, 2023 and Martin Lueders committed Apr 19, 2024
  36159a4a
- Adding the gnuplot script as expandable item in the transient absorption tutorial. · d7afad71
  Nicolas Tancogne-Dejean authored Apr 16, 2024 and Martin Lueders committed Apr 19, 2024
  
  d7afad71
- fix some typos · 71331123
  Martin Lueders authored Apr 09, 2024
  
  71331123
- Adding a tutorial on the transient absorption. · 69ce621f
  Nicolas Tancogne-Dejean authored Apr 03, 2024 and Martin Lueders committed Apr 19, 2024
  
  69ce621f
Apr 18, 2024
- Merge branch 'update-hotfix-tolerance' into 'hotfix-14.1' · 88cbe96e
  Martin Lueders authored Apr 18, 2024
  88cbe96e
- Update precision in 18-TiO2.test · 06ebbe78
  Ashwin authored Apr 03, 2024 and Martin Lueders committed Apr 18, 2024
  06ebbe78
Apr 16, 2024
- Merge branch 'fix_tdfreeze_orbitals_dipole' into 'hotfix-14.1' · eb9256d9
  Martin Lueders authored Apr 16, 2024
  eb9256d9
Apr 11, 2024
- Fixes the multipole output with frozen density · a0f4c675
  Nicolas Tancogne-Dejean authored Mar 25, 2024
  a0f4c675
Apr 09, 2024
- Merge branch 'update_libxc_url' into 'hotfix-14.1' · 5917a351
  Martin Lueders authored Apr 09, 2024
  5917a351
- fix typo · a0445a2b
  Martin Lueders authored Apr 09, 2024
  
  a0445a2b
- update tddft.org references · 5159b3aa
  Martin Lueders authored Apr 09, 2024
  
  5159b3aa
- temporarily remove link to td-elf images · e6471f39
  Martin Lueders authored Apr 09, 2024
  
  e6471f39
- updated libxc urls · e8d76562
  Martin Lueders authored Apr 09, 2024
  
  e8d76562
Apr 03, 2024
- Merge branch 'fix_lda_u_forces' into 'hotfix-14.1' · bfd83c7c
  Nicolas Tancogne-Dejean authored Apr 03, 2024
  bfd83c7c
Apr 02, 2024
- Adjusting the reference values for the new matches. · 6e99eaca
  Nicolas Tancogne-Dejean authored Mar 25, 2024
  
  6e99eaca
Mar 28, 2024
- Merge branch 'fix_excited_states_freeze_orb' into 'hotfix-14.1' · e0b357f5
  Nicolas Tancogne-Dejean authored Mar 28, 2024
  e0b357f5
- Address some review comments. · 0c023256
  Nicolas Tancogne-Dejean authored Mar 28, 2024
  
  0c023256
- Fixes a bug with the velocity output that was not supporting MPI parallelization. · f86034c3
  Nicolas Tancogne-Dejean authored Mar 28, 2024
  
  f86034c3