(git:c5411e0)
|
Data Fields | |
type(dbcsr_type), dimension(:), allocatable | matrix_dp |
type(dbcsr_type), dimension(:), allocatable | matrix_p |
type(dbcsr_type), dimension(:, :), allocatable | matrix_psave |
type(dbcsr_type), dimension(:, :), allocatable | matrix_bch |
real(kind=dp), dimension(2) | step_size = 0.0_dp |
real(kind=dp), dimension(2) | shift = 0.0_dp |
real(kind=dp), dimension(2) | cg_denom = 0.0_dp |
real(kind=dp), dimension(2) | cg_numer = 0.0_dp |
real(kind=dp), dimension(6) | energies = 0.0_dp |
integer | line_search_step = 0 |
integer, dimension(2) | bch_saved = 0 |
logical | double_step_size = .FALSE. |
logical, dimension(2) | fix_shift = .FALSE. |
integer | line_search_type = 0 |
integer | n_bch_hist = 0 |
real(kind=dp) | scale_filter = 0.0_dp |
real(kind=dp) | filter_factor = 0.0_dp |
real(kind=dp) | min_shift = 0.0_dp |
real(kind=dp) | min_filter = 0.0_dp |
Definition at line 55 of file dm_ls_scf_types.F.
type(dbcsr_type), dimension(:), allocatable dm_ls_scf_types::ls_scf_curvy_type::matrix_dp |
Definition at line 56 of file dm_ls_scf_types.F.
type(dbcsr_type), dimension(:), allocatable dm_ls_scf_types::ls_scf_curvy_type::matrix_p |
Definition at line 57 of file dm_ls_scf_types.F.
type(dbcsr_type), dimension(:, :), allocatable dm_ls_scf_types::ls_scf_curvy_type::matrix_psave |
Definition at line 58 of file dm_ls_scf_types.F.
type(dbcsr_type), dimension(:, :), allocatable dm_ls_scf_types::ls_scf_curvy_type::matrix_bch |
Definition at line 59 of file dm_ls_scf_types.F.
real(kind=dp), dimension(2) dm_ls_scf_types::ls_scf_curvy_type::step_size = 0.0_dp |
Definition at line 60 of file dm_ls_scf_types.F.
real(kind=dp), dimension(2) dm_ls_scf_types::ls_scf_curvy_type::shift = 0.0_dp |
Definition at line 61 of file dm_ls_scf_types.F.
real(kind=dp), dimension(2) dm_ls_scf_types::ls_scf_curvy_type::cg_denom = 0.0_dp |
Definition at line 62 of file dm_ls_scf_types.F.
real(kind=dp), dimension(2) dm_ls_scf_types::ls_scf_curvy_type::cg_numer = 0.0_dp |
Definition at line 63 of file dm_ls_scf_types.F.
real(kind=dp), dimension(6) dm_ls_scf_types::ls_scf_curvy_type::energies = 0.0_dp |
Definition at line 64 of file dm_ls_scf_types.F.
integer dm_ls_scf_types::ls_scf_curvy_type::line_search_step = 0 |
Definition at line 65 of file dm_ls_scf_types.F.
integer, dimension(2) dm_ls_scf_types::ls_scf_curvy_type::bch_saved = 0 |
Definition at line 66 of file dm_ls_scf_types.F.
logical dm_ls_scf_types::ls_scf_curvy_type::double_step_size = .FALSE. |
Definition at line 67 of file dm_ls_scf_types.F.
logical, dimension(2) dm_ls_scf_types::ls_scf_curvy_type::fix_shift = .FALSE. |
Definition at line 68 of file dm_ls_scf_types.F.
integer dm_ls_scf_types::ls_scf_curvy_type::line_search_type = 0 |
Definition at line 70 of file dm_ls_scf_types.F.
integer dm_ls_scf_types::ls_scf_curvy_type::n_bch_hist = 0 |
Definition at line 71 of file dm_ls_scf_types.F.
real(kind=dp) dm_ls_scf_types::ls_scf_curvy_type::scale_filter = 0.0_dp |
Definition at line 72 of file dm_ls_scf_types.F.
real(kind=dp) dm_ls_scf_types::ls_scf_curvy_type::filter_factor = 0.0_dp |
Definition at line 73 of file dm_ls_scf_types.F.
real(kind=dp) dm_ls_scf_types::ls_scf_curvy_type::min_shift = 0.0_dp |
Definition at line 74 of file dm_ls_scf_types.F.
real(kind=dp) dm_ls_scf_types::ls_scf_curvy_type::min_filter = 0.0_dp |
Definition at line 75 of file dm_ls_scf_types.F.