Commits · 9.1 · Timothy Bergstresser / apache-octopus · GitLab

Jun 28, 2019
- Merge branch 'hotfix-9.1' · 8bb65f58
  Micael Oliveira authored Jun 28, 2019
  
  View commits for tag 9.1 9.1
  8bb65f58
- Bumping version to 9.1. · 06beedb8
  Micael Oliveira authored Jun 28, 2019
  
  06beedb8
- Merge branch 'backport_submesh_overlap_fix' into hotfix-9.1 · 6dd71ee0
  Micael Oliveira authored Jun 28, 2019
  
  6dd71ee0
Jun 27, 2019
- Merge branch 'hotfix_frozen_spinors' into 'hotfix-9.1' · 216236dd
  Micael Oliveira authored Jun 27, 2019
  216236dd
- Merge branch 'hotfix_exp_apply_taylor_psib2' into 'hotfix-9.1' · be118a60
  Micael Oliveira authored Jun 27, 2019
  be118a60
- Fix a typo. · 352c1916
  Nicolas Tancogne-Dejean authored Jun 26, 2019 and Micael Oliveira committed Jun 27, 2019
  
  352c1916
- The contribution to the total density from the frozen one is for all the spin,... · 9ed2b693
  Nicolas Tancogne-Dejean authored Jun 25, 2019 and Micael Oliveira committed Jun 27, 2019
  9ed2b693
- Bugfix: the phase was not removed for psib2 when doing the Taylor method with... · b560be0b
  Nicolas Tancogne-Dejean authored Jun 19, 2019 and Micael Oliveira committed Jun 27, 2019
  b560be0b
- Merge branch 'testsuite_fixes' into hotfix-9.1 · ea8f2da8
  Micael Oliveira authored Jun 27, 2019
  
  ea8f2da8
Jun 26, 2019
- Adjust one more tolerance. · 56d222e7
  Micael Oliveira authored Jun 26, 2019
  
  56d222e7
- Another test fix. · 84e022af
  Micael Oliveira authored Jun 26, 2019
  
  84e022af
- Change SIC test to always use metis instead of parmetis. The parmetis... · 74cdb781
  Micael Oliveira authored Jun 26, 2019
  74cdb781
- Adjust another tolerance. · 6851f967
  Micael Oliveira authored Jun 26, 2019
  
  6851f967
- Adjust another tolerance. · 6f02ee0a
  Micael Oliveira authored Jun 26, 2019
  
  6f02ee0a
- Fx a type in a test. · 7e482154
  Nicolas Tancogne-Dejean authored Jun 26, 2019 and Micael Oliveira committed Jun 26, 2019
  
  7e482154
Jun 24, 2019
- Merge branch 'hotfix_nrm2_dos' into hotfix-9.1 · 1ae83407
  Martin Lueders authored Jun 24, 2019
  
  1ae83407
Jun 21, 2019
- Fix a problem of missing square for the summation of the norm for the dos. · 935c7344
  Nicolas Tancogne-Dejean authored Jun 21, 2019
  
  935c7344
Jun 20, 2019
- Lets try something else to have the test converge in all the builders. · f117f831
  Micael Oliveira authored Jun 20, 2019
  
  f117f831
- Update test input file. · a3398780
  Micael Oliveira authored Jun 20, 2019
  
  a3398780
- Attempt to reduce the discrepancies in results for the SIC test by improve the SCF convergence. · c3d36e4e
  Micael Oliveira authored Jun 20, 2019
  
  c3d36e4e
Jun 19, 2019
- Update tolerance for finite_systems_3d/10-fullerene.test · a22f8047
  Micael Oliveira authored Jun 19, 2019
  
  a22f8047
- Update tolerances for lda_u/07-noncollinear.test. · eace439c
  Micael Oliveira authored Jun 19, 2019
  
  eace439c
Jun 18, 2019
- Merge branch 'fix_xcrysden_output_nonorthogonal' into hotfix-9.1 · e9402f06
  Micael Oliveira authored Jun 18, 2019
  
  e9402f06
- Merge branch 'fix_dftu_frozen_u_restart' into hotfix-9.1 · e2cdc087
  Micael Oliveira authored Jun 18, 2019
  
  e2cdc087
Jun 17, 2019
- Fix a bug with frozen U of frozen occupations in TDDFT+U that was causing a restart problem. · 5266a2a8
  Nicolas Tancogne-Dejean authored Jun 12, 2019
  
  5266a2a8
- This was leading to a problem in the xcrysden output, resulting in a wrong... · e78ee479
  Nicolas Tancogne-Dejean authored Jun 17, 2019 and Micael Oliveira committed Jun 17, 2019
  e78ee479
May 27, 2019
- Increased a bit the tolerance of a test. · 24ead738
  Xavier Andrade authored May 26, 2019
  
  24ead738
May 26, 2019
- Assume all atoms overlap for periodic systems. This will slow down GPU code,... · 3e4770d9
  Xavier Andrade authored May 26, 2019
  3e4770d9
May 25, 2019
- Merge branch 'GPU-testsuite-fixes' into 'hotfix-9.1' · 3cd4fdab
  Micael Oliveira authored May 25, 2019
  3cd4fdab
- some cleanup and comments · 25cd88fd
  Martin Lueders authored May 25, 2019
  
  25cd88fd
May 21, 2019
- disabled CUDA for functionals/10--vdw_d3_dna.test · e9ada139
  Martin Lueders authored May 21, 2019
  
  e9ada139
May 20, 2019
- Added a missing input file to the · f21129df
  Alberto Castro authored May 20, 2019
  f21129df
May 17, 2019
- further testsuite tweeks · f0f16966
  Martin Lueders authored May 16, 2019 and Micael Oliveira committed May 17, 2019
  
  f0f16966
- fixed MeshBlockSize for lda_u/09-basis_from_states.01-lda.inp · ea3b449e
  Martin Lueders authored May 15, 2019 and Micael Oliveira committed May 17, 2019
  
  ea3b449e
May 15, 2019
- Merge branch 'fix_condition_oct_diel_func' into 'hotfix-9.1' · ec590936
  Micael Oliveira authored May 15, 2019
  ec590936
- Merge branch 'more_testsuite_fixes' into 'hotfix-9.1' · 1ca27607
  Micael Oliveira authored May 15, 2019
  1ca27607
- The condition should be triggered by the presence of the variable TransientAbsorptionReference. · 8d69ad05
  Nicolas Tancogne-Dejean authored May 15, 2019 and Micael Oliveira committed May 15, 2019
  
  8d69ad05
- Update another tolerance. · 9177302b
  Micael Oliveira authored May 15, 2019
  
  9177302b
- Fix a few more problems with the testsuite. · 0c382164
  Micael Oliveira authored May 15, 2019
  
  0c382164
May 14, 2019
- Merge branch 'release-9.0' into 'master' · 3747c5f5
  Micael Oliveira authored May 14, 2019
  View commits for tag 9.0 9.0
  3747c5f5