Branches

• lcao_change_precision_buff

  027c1fca · Updating some tests after the changes. Some testfiles now use the new option... · Jan 30, 2023
• fr_upf2

  f4ee7f68 · Forbid to use fully relativistic UPF2 pseudopotentials as this is not supported at the moment. · Jan 24, 2023
• check_mgga

  a4e05d07 · changed mgga test to short-run · Jan 18, 2023
• fix_nfft_m4

  896498e6 · removed include of nfft3utils.h · Jan 12, 2023
• fix_test_script

  6aafd4e1 · attempt to fix the script to distinguish pnfft and nfft · Jan 12, 2023
• improved_gpu_support_dftu

  c296e33f · updated lda_u tolerances (for ppc) · Jan 12, 2023
• fix_sync_allstream

  88fac51d · Fix the routine that synchronize all streams. This was done in an non-elegant and inefficient way. · Jan 12, 2023
• symmetrize_matrix

  b491b31a · Symmetrize the Hamiltonian matrix, as we compute it entirely. · Jan 04, 2023
• optimize_loewdin

  b414385e · The calculation of the overlap is now made on GPUs when possible. · Jan 03, 2023
• remove_cg_new

  a2f6c2f1 · Removing the eigensolver cg_new which is not maintained and deprecated. · Dec 16, 2022
• fix_species_full_gaussian_initialization

  a63740af · Fix the start value for species_full_gaussian · Dec 07, 2022
• photon_free_exchange_develop_updated

  8b7e746a · Rewriting the wfs potential to be parallel in domain, treat better the... · Dec 05, 2022
• output_dispersive_medium_current

  3378c607 · add restart fix and redefine complex alloc · Nov 28, 2022
• stabilize_lcao

  dfc8d9c2 · zero out tiny matrix elements · Nov 10, 2022
• lcao_orb_dependent_spin

  f9321531 · In case of orbital-dependent functionals, we now force the code to do an LDA... · Nov 04, 2022
• noncollinear_adsic

  87469c67 · Avoid the problem of vanishing density in a spin channel. · Oct 24, 2022
• hotfix-12.1

  a5876c03 · updated version number · Oct 14, 2022
• call_submesh_init_even_less

  9c1e2243 · Added logical flag RecycleSubmesh, by default =no, for recycling the submesh... · Sep 27, 2022
• soc_gpu_test

  9d151472 · simplify the X(projection) logic · Sep 26, 2022
• fix_kernels

  6985f42f · The kernel was wrong in case of a global index larger than 32. · Sep 22, 2022