1. 14 Apr, 2016 5 commits
  2. 13 Apr, 2016 3 commits
  3. 12 Apr, 2016 1 commit
  4. 29 Mar, 2016 1 commit
  5. 21 Mar, 2016 1 commit
  6. 18 Mar, 2016 1 commit
  7. 26 Feb, 2016 1 commit
  8. 23 Feb, 2016 1 commit
  9. 22 Feb, 2016 1 commit
  10. 12 Feb, 2016 1 commit
  11. 11 Feb, 2016 3 commits
  12. 09 Feb, 2016 1 commit
  13. 08 Feb, 2016 1 commit
  14. 05 Feb, 2016 1 commit
  15. 04 Feb, 2016 1 commit
  16. 03 Feb, 2016 4 commits
  17. 02 Feb, 2016 1 commit
  18. 01 Feb, 2016 1 commit
  19. 29 Jan, 2016 3 commits
  20. 28 Jan, 2016 1 commit
  21. 27 Jan, 2016 1 commit
  22. 23 Jan, 2016 1 commit
  23. 22 Jan, 2016 1 commit
  24. 21 Jan, 2016 1 commit
  25. 19 Jan, 2016 1 commit
    • Mohamed, Fawzi Roberto (fawzi)'s avatar
      common: metadata improvements · d6628ec4
      Mohamed, Fawzi Roberto (fawzi) authored
      ## dimension types -> number_of_*
      
      atom_kind_natoms -> number_of_atom_kinds
      basis_set_atom_centered_nbasis_functions -> number_of_basis_functions_in_basis_set_atom_centered
      basis_set_atom_centered_nkinds -> number_of_kinds_in_basis_set_atom_centered
      eigenvalues_eigenvalues_number -> number_of_eigenvalues
      eigenvalues_kpoints_number -> number_of_eigenvalues_kpoints
      n_k_point_segments -> number_of_k_point_segments
      n_k_points_per_segment -> number_of_k_points_per_segment
      section_basis_nbasis_functions -> number_of_basis_functions
      atom_number -> number_of_atoms
      
      ## all meta info names should contain at least one "_"
      
      energy -> energy_value
      method -> calculation_method
      cell -> simulation_cell
      
      ## uniform handling of method related things
      
      stress_tensor
      van der Waals
      relativity
      
      ## other
      
      * links to public wiki
      * improved section_method and settings_*
      d6628ec4
  26. 18 Jan, 2016 1 commit
  27. 17 Jan, 2016 1 commit