Commits · 10.1 · Timothy Bergstresser / gnome-octopus · GitLab

Aug 17, 2020
- bumped version number to 10.1 · 5fb09e3d
  Martin Lueders authored Aug 17, 2020
  
  View commits for tag 10.1 10.1
  5fb09e3d
Aug 12, 2020
- Merge branch 'bugfix_slater2' into 'hotfix-10.1' · fab2bb86
  Nicolas Tancogne-Dejean authored Aug 12, 2020
  fab2bb86
Aug 11, 2020
- Remove unused variables. · 4c13ed4f
  Nicolas Tancogne-Dejean authored Aug 11, 2020
  
  4c13ed4f
Aug 10, 2020
- Updating the test. · e580cae7
  Nicolas Tancogne-Dejean authored Aug 10, 2020
  
  e580cae7
- Merge branch 'fix_ffpe-trap_invalid' into 'hotfix-10.1' · 8c9ec298
  Martin Lueders authored Aug 10, 2020
  8c9ec298
- fix zero frequency · a345cdf3
  Martin Lueders authored Aug 10, 2020
  
  a345cdf3
Aug 07, 2020
- fixes in symmmetries and photo-spectrum · 5a914e68
  Martin Lueders authored Aug 07, 2020
  
  5a914e68
- second part of deltat2 fix · 3fd299f8
  Martin Lueders authored Aug 07, 2020
  
  3fd299f8
- first part of deltat2 fix · b58cc205
  Martin Lueders authored Aug 07, 2020
  
  b58cc205
- initialize t1 and t2 in spectrum_count_time_steps · 051b4279
  Martin Lueders authored Aug 07, 2020
  
  051b4279
Aug 06, 2020
- Merge branch '383-Fix-failing-OMP-pipeline-for-03-He-Hartree-Fock-test' into 'hotfix-10.1' · 956f3894
  Martin Lueders authored Aug 06, 2020
  956f3894
- Fix reduction variable initialization also for curvilinear coordinates. · 3046559c
  Heiko Appel authored Aug 06, 2020
  
  3046559c
- Use firstprivate for the OMP pragma to fix variable initialization. · 57c81fe2
  Heiko Appel authored Aug 06, 2020
  
  57c81fe2
- Fix uninitialized array elements for OMP private variable. · 0a558fef
  Heiko Appel authored Aug 06, 2020
  
  0a558fef
Aug 03, 2020
- Merge branch 'GPU-fix_for_rtx2080ti' into 'hotfix-10.1' · 4aa591d5
  Martin Lueders authored Aug 03, 2020
  4aa591d5
Jul 31, 2020
- fencing pragma statement · 6d053d31
  Martin Lueders authored Jul 31, 2020
  
  6d053d31
- limited loop unrolling · 03f8f7a6
  Martin Lueders authored Jul 31, 2020
  
  03f8f7a6
Jul 30, 2020
- Merge branch 'preconditioner_nonorthogonal_cells' into 'hotfix-10.1' · 7b42d3c1
  Nicolas Tancogne-Dejean authored Jul 30, 2020
  7b42d3c1
- Minor changes. · 41ae7264
  Nicolas Tancogne-Dejean authored Jul 30, 2020
  
  41ae7264
Jul 29, 2020
- Add a missing factor of two in the singular case. · 3e33f81f
  Nicolas Tancogne-Dejean authored Jul 29, 2020
  
  3e33f81f
- Merge branch 'fix_dielectric_function' into 'hotfix-10.1' · 82029b52
  Martin Lueders authored Jul 29, 2020
  82029b52
Jul 28, 2020
- Some builders seem to catch a higher state than the one intended. I am adding... · 44ae94f8
  Nicolas Tancogne-Dejean authored Jul 28, 2020
  44ae94f8
- Increase tolerance for some tests and add an extra state to stabilize one test. · f688e25f
  Nicolas Tancogne-Dejean authored Jul 27, 2020
  
  f688e25f
Jul 27, 2020
- Merging with hotfix-10.1. · 8d7b70c9
  Nicolas Tancogne-Dejean authored Jul 27, 2020
  
  8d7b70c9
- Bugfix in octr-dielectric function · b90353e3
  Nicolas Tancogne-Dejean authored Jul 27, 2020
  b90353e3
- Treating the case of singular matrices in a better and more robbust way. · 0d248b07
  Nicolas Tancogne-Dejean authored Jul 27, 2020
  
  0d248b07
Jul 21, 2020
- Updating the test. · 9873b83c
  Nicolas Tancogne-Dejean authored Jul 21, 2020
  
  9873b83c
- Merging release-10.0. · b8860b82
  Nicolas Tancogne-Dejean authored Jul 21, 2020
  
  b8860b82
Jul 20, 2020
- Merge branch 'release-10.0' into 'master' · 447d20f2
  Martin Lueders authored Jul 20, 2020
  View commits for tag 10.0 10.0
  447d20f2
- updated authors and PACKAGING · 4cf67c03
  Martin Lueders authored Jul 20, 2020
  
  4cf67c03
Jul 15, 2020
- Merge branch 'update_etsf_test' into 'release-10.0' · fc44df57
  Micael Oliveira authored Jul 15, 2020
  fc44df57
- updated sizes in etsf-test · 80eab8b5
  Martin Lueders authored Jul 15, 2020
  
  80eab8b5
Jul 14, 2020
- version number bumped to 10.0 · bdb3861a
  Martin Lueders authored Jul 14, 2020
  
  bdb3861a
Jul 13, 2020
- Merge branch 'fix_mgga' into 'release-10.0' · 9cc2786e
  Micael Oliveira authored Jul 13, 2020
  9cc2786e
- Check if we have a MGGA energy functional along with MPI+CUDA higher up and avoid using mpi_world. · dd4bb112
  Micael Oliveira authored Jul 13, 2020
  dd4bb112
- Merge branch 'fix_lcao_init_spinors' into 'release-10.0' · cbe37716
  Martin Lueders authored Jul 13, 2020
  cbe37716
Jul 10, 2020
- Use derivatives_batch_grad in mgga_terms. · 1779ca2b
  Micael Oliveira authored Jul 10, 2020
  
  1779ca2b
- Merge branch 'adding_asserts' into 'release-10.0' · f52eeb74
  Martin Lueders authored Jul 10, 2020
  f52eeb74
- Removed useless variables. · e17eaf7e
  Micael Oliveira authored Jul 10, 2020
  
  e17eaf7e
- Move calculation of the MGGA specific contribution to Int[n*v_xc] to... · 255c4380
  Micael Oliveira authored Jul 10, 2020
  255c4380