(git:b279b6b)
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#include "./base/base_uses.f90"
Go to the source code of this file.
Modules | |
module | qs_scf_types |
module that contains the definitions of the scf types | |
Functions/Subroutines | |
subroutine, public | qs_scf_types::scf_env_create (scf_env) |
allocates and initialize an scf_env More... | |
subroutine, public | qs_scf_types::scf_env_did_change (scf_env) |
function to be called to inform the scf_env about changes More... | |
subroutine, public | qs_scf_types::scf_env_release (scf_env) |
releases an scf_env (see doc/ReferenceCounting.html) More... | |
subroutine, public | qs_scf_types::krylov_space_create (krylov_space, scf_section) |
creates krylov space More... | |
subroutine, public | qs_scf_types::diag_subspace_env_create (subspace_env, scf_section, ecut) |
creates subspace-rotation environment More... | |
Variables | |
integer, parameter, public | qs_scf_types::general_diag_method_nr = 1 |
integer, parameter, public | qs_scf_types::special_diag_method_nr = 2 |
integer, parameter, public | qs_scf_types::ot_diag_method_nr = 3 |
integer, parameter, public | qs_scf_types::block_krylov_diag_method_nr = 4 |
integer, parameter, public | qs_scf_types::block_davidson_diag_method_nr = 5 |
integer, parameter, public | qs_scf_types::ot_method_nr = 10 |
integer, parameter, public | qs_scf_types::filter_matrix_diag_method_nr = 20 |