Branches

• revised_multigrid

  1febdc77 · Revisiting the multigrid routines to have an interpolation scheme that is the... · May 19, 2021
• 454-implement-born-oppenheimer-dynamics-with-absorbingboundaries-mask-2

  527140bf · Merge branch 'refactoring_hgh_pseudo' into 'develop' · May 11, 2021
• 449-make-maxwell-linear-media-a-separate-system-type-2

  487e1d03 · Merge branch 'optim_dotpv_batch_spinors' into 'develop' · May 03, 2021
• poisson_fft_shells

  4e1468f9 · Merge branch 'develop' into poisson_fft_shells · Apr 27, 2021
• gs_photodoping

  71ba66c6 · photodoping feature for groundstate · Apr 22, 2021
• kli_electron_refactoring

  57540f65 · Refactor the Slater part of the KLI code for electrons to improve readability and performances. · Apr 07, 2021
• refactor_grid_generation

  62df6594 · Add check for bounding box when counting mesh points · Mar 12, 2021
• casida_restart_photons

  010f03f8 · Add restart for Casida with photons · Feb 25, 2021
• 440-implement-ehrenfest-ion-dynamics-coupled-to-dftb

  5549c6a6 · Merge branch 'box_info' into 'develop' · Feb 15, 2021
• fix_qmr_smearing

  e469d199 · Fixes the QMR solver in the case of non-semiconducting smearing. · Feb 04, 2021
• lcao_orbital_dependent_functional

  55cdec0e · The orbital dependent potential should not be computed from the LCAO states,... · Jan 21, 2021
• fix_cg_normalization

  791253f9 · Adapt exit conditions of CG to make it faster · Jan 12, 2021
• minor_optim

  6cbfeaaa · Optimization of the residue routine to avoid unnecessary operations. · Dec 18, 2020
• remove_useless_orthogonalization

  a22cded2 · Remove this last orthogonalization, which is now useless. · Dec 18, 2020
• variable-count

  e8580702 · further bug fixes · Dec 11, 2020
• 434-generate-photon-modes-inside-octopus

  a5a1aad6 · Add auto-generation of photon modes for the Casida and Sternheimer implementations for photons. · Dec 10, 2020
• lcao_unrestricted

  d5f6186e · Starting to implement the spin unrestricted LCAO. · Dec 09, 2020
• remove-unused-code-grid

  c53747f2 · Restore order of operations · Dec 07, 2020
• kick

  9d8bb176 · Merge branch 'develop' into kick · Dec 05, 2020
• optim_vdw_ts

  83577681 · Several optimization for vdw TS forces. · Dec 01, 2020