|
| subroutine, public | xc_oct_m::xc_write_info (xcs, iunit, namespace) |
| |
| subroutine, public | xc_oct_m::xc_write_fxc_info (xcs, iunit, namespace) |
| |
| subroutine, public | xc_oct_m::xc_init (xcs, namespace, ndim, periodic_dim, nel, x_id, c_id, xk_id, ck_id, hartree_fock, ispin) |
| |
| subroutine | parse () |
| |
| subroutine, public | xc_oct_m::xc_end (xcs) |
| |
| logical pure function, public | xc_oct_m::xc_is_orbital_dependent (xcs) |
| | Is the xc family orbital dependent. More...
|
| |
| pure logical function, public | xc_oct_m::family_is_gga (family, only_collinear) |
| | Is the xc function part of the GGA family. More...
|
| |
| pure logical function, public | xc_oct_m::family_is_supported (family) |
| | Is the xc family internally supported by Octopus. More...
|
| |
| pure logical function, public | xc_oct_m::family_is_mgga (family, only_collinear) |
| | Is the xc function part of the mGGA family. More...
|
| |
| pure logical function, public | xc_oct_m::family_is_nc_mgga (family) |
| |
| logical pure function, public | xc_oct_m::family_is_mgga_with_exc (xcs) |
| | Is the xc function part of the mGGA family with an energy functional. More...
|
| |
| logical pure function, public | xc_oct_m::family_is_hybrid (xcs) |
| | Returns true if the functional is an hybrid functional. More...
|
| |
| pure logical function, public | xc_oct_m::in_family (family, xc_families) |
| |
| logical function | xc_oct_m::xc_compute_exchange (xc, theory_level) |
| | Theory levels and functionals for which exacy exchange is required. More...
|
| |
| subroutine | xc_oct_m::set_hybrid_params (xcs, namespace, cam_ext) |
| | Sets external parameters for some hybrid functionals. More...
|
| |
| logical function, public | xc_oct_m::xc_is_not_size_consistent (xcs, namespace) |
| | Is one of the x or c functional is not size consistent. More...
|
| |
| logical pure function, public | xc_oct_m::xc_is_energy_functional (xcs) |
| | Is one of the x or c functional is not an energy functional. More...
|
| |
1.9.4