Commits · develop · Jon A Bender / octopus · GitLab

Oct 01, 2019
- Merge branch 'magnus_propagation_operations' into 'develop' · 1f1f919a
  Sebastian Ohlmann authored Oct 01, 2019
  1f1f919a
- Magnus propagator now uses propagation_ops_elec_fuse_density_exp_apply. · d4520369
  Micael Oliveira authored Oct 01, 2019
  
  d4520369
- Add optinal vmagnus argument to propagation_ops_elec_fuse_density_exp_apply. · fee20581
  Micael Oliveira authored Oct 01, 2019
  
  fee20581
- Merge branch 'move_pack_unpack_location_in_propagation' into 'develop' · 0c0c27b3
  Sebastian Ohlmann authored Oct 01, 2019
  0c0c27b3
- Run unstable test with only one mpi process. · 6069f440
  Micael Oliveira authored Oct 01, 2019
  
  6069f440
- Move pack/unpack operations from exponential_apply_batch to the loops over batches. · 211cb863
  Micael Oliveira authored Oct 01, 2019
  211cb863
- Merge branch 'PizDaint-testsuite-tweaks' into 'develop' · 425e2feb
  Micael Oliveira authored Oct 01, 2019
  425e2feb
- tweaks to make test pass on Piz Daint · b8bb09f0
  Martin Lueders authored Oct 01, 2019 and Micael Oliveira committed Oct 01, 2019
  
  b8bb09f0
Sep 16, 2019
- Merge branch 'batch_scal_optim' into 'develop' · 700efaf4
  Micael Oliveira authored Sep 16, 2019
  700efaf4
- Change the order of the loops in batch_scal for improved performances. A... · daf98192
  Nicolas Tancogne-Dejean authored Sep 16, 2019
  daf98192
Sep 11, 2019
- Merge branch 'fix_paral_tdoccup' into 'develop' · b7d03ac4
  Micael Oliveira authored Sep 11, 2019
  b7d03ac4
- Adding a test for the td_occup variable in combined parallelization. · 48ef1d36
  Nicolas Tancogne-Dejean authored Sep 11, 2019
  
  48ef1d36
- Merge branch 'fix_staticfield_energy' into 'develop' · cd711caa
  Micael Oliveira authored Sep 11, 2019
  cd711caa
Sep 10, 2019
- Remove comments that were not supposed to be there. · a77c0b6f
  Nicolas Tancogne-Dejean authored Sep 10, 2019
  
  a77c0b6f
- The states parallelization for the projections was not working in case of... · 855e2a74
  Nicolas Tancogne-Dejean authored Sep 10, 2019
  855e2a74
- Output the new contribution to the energy and adding a test. · abe2c97c
  Nicolas Tancogne-Dejean authored Sep 10, 2019
  
  abe2c97c
- Merge branch 'fix_accel_init' into 'develop' · 0ef4394e
  Micael Oliveira authored Sep 10, 2019
  0ef4394e
- Merge branch 'develop' into fix_staticfield_energy · 142d1920
  Nicolas Tancogne-Dejean authored Sep 10, 2019
  
  142d1920
Sep 09, 2019
- Merge branch 'support_nvtx' into 'develop' · 76d13791
  Martin Lueders authored Sep 09, 2019
  76d13791
Sep 06, 2019
- Add support for NVTX to aid GPU profiling · 334bdeb4
  Sebastian Ohlmann authored Sep 06, 2019
  334bdeb4
- Move accel_init out of system to run, before fft_init · e2e1279d
  Sebastian Ohlmann authored Sep 06, 2019
  e2e1279d
Sep 03, 2019
- Merge branch 'improve_openmp' into develop · 9ffdee51
  Micael Oliveira authored Sep 03, 2019
  
  9ffdee51
Aug 27, 2019
- Optimize abs**2 to conjg(f)*f · 63dcf3bb
  Sebastian Ohlmann authored Aug 26, 2019
  
  63dcf3bb
- Make variables private only where necessary · fd0ae9c5
  Sebastian Ohlmann authored Aug 26, 2019
  
  fd0ae9c5
- Add openmp support for batch_set_zero · 0bb8926a
  Sebastian Ohlmann authored Aug 23, 2019
  
  0bb8926a
- Introduce openmp for hamiltonian_elec_update · 379284fe
  Sebastian Ohlmann authored Aug 23, 2019
  
  379284fe
- Introduce openmp for vnlpsi · 598af3a2
  Sebastian Ohlmann authored Aug 23, 2019
  
  598af3a2
- Introduce openmp for density_calc · 99afe15c
  Sebastian Ohlmann authored Aug 23, 2019
  
  99afe15c
- Improve openmp for set_bc · 85c1c5ab
  Sebastian Ohlmann authored Aug 23, 2019
  
  85c1c5ab
- Make multicomm_divide_range_omp work without openmp · 286c9b97
  Sebastian Ohlmann authored Aug 23, 2019
  286c9b97
Aug 22, 2019
- Merge branch 'batchify_magnus' into 'develop' · f367540c
  Micael Oliveira authored Aug 22, 2019
  f367540c
Aug 21, 2019
- Magnus propagator now uses exponential_apply_batch. · 1c5382fa
  Micael Oliveira authored Aug 20, 2019
  
  1c5382fa
- Batch version of exponential_apply is now aware of the vmagnus optional... · f6139bf9
  Micael Oliveira authored Aug 20, 2019
  f6139bf9
- Add batch version of X(magnus). · 715d8eed
  Micael Oliveira authored Aug 20, 2019
  
  715d8eed
- Merge branch 'hotfix-9.2' into develop · 7553866e
  Micael Oliveira authored Aug 21, 2019
  7553866e
- Merge branch 'hotfix_magnus' into 'hotfix-9.2' · da70d9e1
  Micael Oliveira authored Aug 21, 2019
  da70d9e1
- Merge branch 'hgh_proj_mat' into 'develop' · 541ada00
  Micael Oliveira authored Aug 21, 2019
  541ada00
- Merge branch 'upf2_fix' into 'hotfix-9.2' · 8483aa58
  Micael Oliveira authored Aug 21, 2019
  8483aa58
- Added support for older QSO pseudos. · 774c7220
  Xavier Andrade authored Jul 30, 2019 and Micael Oliveira committed Aug 21, 2019
  
  774c7220
- Fixes for some UPF2 files that have a different format. · c45af791
  Xavier Andrade authored Jul 29, 2019 and Micael Oliveira committed Aug 21, 2019
  
  c45af791