Commits · main · Asdrubal Lozada / octopus · GitLab

Sep 29, 2022
- Merge branch 'refactoring_oep_sic' into 'main' · 5f1333c5
  Martin Lueders authored Sep 29, 2022
  5f1333c5
- Merge branch 'batchify_lda_u_commute_r' into 'main' · a78c2f90
  Martin Lueders authored Sep 29, 2022
  a78c2f90
- Renaming ibatch ist to make the variable more explicit. · 5904e891
  Nicolas Tancogne-Dejean authored Sep 29, 2022
  
  5904e891
- Changing the names of the variables to be correctly matching what the kernel does. · f4d55af0
  Nicolas Tancogne-Dejean authored Sep 29, 2022
  
  f4d55af0
- Changing the names to be more explicit. · cea0e10f
  Nicolas Tancogne-Dejean authored Sep 29, 2022
  
  cea0e10f
Sep 28, 2022
- Do not call xc_oep_end if we do not used PZ-OEP-SIC. This should make valgrind happy. · 8e779a0f
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  
  8e779a0f
- Fix the order of initialization and fix a precision in the testsuite. · 92f3cf61
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  
  92f3cf61
- Fix the code, that requires initializing the amaldi factor all the time. · 72b9b2e0
  Nicolas Tancogne-Dejean authored Sep 26, 2022
  
  72b9b2e0
- Refactoring the PZ SIC and trying to improve the logic of the code in few places. · f487c64f
  Nicolas Tancogne-Dejean authored Sep 08, 2022
  
  f487c64f
- Fix the name of kernel routine after the rebasing. · bdef2fe8
  Nicolas Tancogne-Dejean authored Sep 28, 2022
  
  bdef2fe8
- The code was not changed properly after the rebase. · d5c440ff
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  
  d5c440ff
- Disabling accel on the unpacked tests. · 9f897a72
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  
  9f897a72
- Fix some compiler warning. · 11acd580
  Nicolas Tancogne-Dejean authored Sep 26, 2022
  
  11acd580
- Resetting the old reference values (12.1) as there was a problem in the code introduced in between. · b938182c
  Nicolas Tancogne-Dejean authored Sep 23, 2022
  
  b938182c
- Minor improvements. · d37b1c9c
  Nicolas Tancogne-Dejean authored Sep 21, 2022 and Nicolas Tancogne-Dejean committed Sep 28, 2022
  
  d37b1c9c
- The previous implementation was inefficient due to calls to · 616ee81d
  Nicolas Tancogne-Dejean authored Sep 21, 2022 and Nicolas Tancogne-Dejean committed Sep 28, 2022
  616ee81d
- Batchifying the calculation of the commutator of the position operator and the... · d6a3ce6c
  Nicolas Tancogne-Dejean authored Sep 21, 2022 and Nicolas Tancogne-Dejean committed Sep 28, 2022
  d6a3ce6c
- Merge branch 'grid_as_child_class_of_mesh' into 'main' · fb63ade8
  Nicolas Tancogne-Dejean authored Sep 28, 2022
  fb63ade8
Sep 27, 2022
- Merge remote-tracking branch 'origin/main' into grid_as_child_class_of_mesh · 8b2e2a51
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  
  8b2e2a51
- Merge branch 'reorganize_output' into 'main' · 93bc9559
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  93bc9559
- Merge branch 'soc_gpu' into 'main' · b71fc8ed
  Nicolas Tancogne-Dejean authored Sep 27, 2022
  b71fc8ed
Sep 26, 2022
- Merge branch 'invert_order_submesh_x' into 'main' · 46e1762d
  Martin Lueders authored Sep 26, 2022
  46e1762d
- Readjust the tolerances of the test. · d23688ad
  Nicolas Tancogne-Dejean authored Sep 26, 2022
  
  d23688ad
- adapt ker_proj_bra_force_complex to matrix types · 21b55f07
  mtabriz authored Sep 26, 2022
  
  21b55f07
- fix projector_bra_force_complex kernel · 5be01792
  mtabriz authored Sep 26, 2022
  
  5be01792
- simplify the X(projection) logic · 9d151472
  mtabriz authored Sep 26, 2022
  
  9d151472
- add flags to projector_bra_force* start calls · b273ac7c
  mtabriz authored Sep 26, 2022
  
  b273ac7c
- update warpReduce usage · d1744e28
  mtabriz authored Sep 26, 2022
  
  d1744e28
- fix buffer size · c35cfdef
  mtabriz authored Sep 26, 2022
  
  c35cfdef
- replace warpReduce(2) with d/zwarpReduce · 43bc1afb
  mtabriz authored Sep 22, 2022
  
  43bc1afb
- merge !1704 changes · 38ed5ee4
  mtabriz authored Sep 21, 2022
  
  38ed5ee4
- rm 07-spin_orbit_coupling.01-hgh-elpa.inp · 84ed2119
  mtabriz authored Sep 21, 2022
  84ed2119
- use single test for SOC · fd39651c
  mtabriz authored Sep 21, 2022
  fd39651c
- fix profiling region block · 9c0bdd9a
  mtabriz authored Sep 21, 2022
  
  9c0bdd9a
- add missing , to ket · e5f569a7
  mtabriz authored Sep 20, 2022
  
  e5f569a7
- use dprojector_mix in commutator_accel · fcaf619e
  mtabriz authored Sep 20, 2022
  
  fcaf619e
- cleanup after rebase · 806f2887
  mtabriz authored Sep 20, 2022
  
  806f2887
- minor cleanup · c98f1097
  mtabriz authored Sep 20, 2022
  
  c98f1097
- fix cuda condition · ea4bff06
  mtabriz authored Sep 20, 2022
  
  ea4bff06
- minor cleanup · e5a781fc
  mtabriz authored Sep 20, 2022
  
  e5a781fc