outer_scf_control_types::qs_outer_scf_type Type Reference

Data Fields
integer	iter_count
logical	deallocate_jacobian
real(kind=dp), dimension(:), pointer	energy
real(kind=dp), dimension(:, :), pointer	variables
real(kind=dp), dimension(:, :), pointer	gradient
real(kind=dp), dimension(:, :), pointer	inv_jacobian
integer, dimension(:), pointer	count

Detailed Description

Definition at line 75 of file outer_scf_control_types.F.

Field Documentation

iter_count

integer outer_scf_control_types::qs_outer_scf_type::iter_count

Definition at line 76 of file outer_scf_control_types.F.

deallocate_jacobian

logical outer_scf_control_types::qs_outer_scf_type::deallocate_jacobian

Definition at line 77 of file outer_scf_control_types.F.

energy

real(kind=dp), dimension(:), pointer outer_scf_control_types::qs_outer_scf_type::energy

Definition at line 83 of file outer_scf_control_types.F.

variables

real(kind=dp), dimension(:, :), pointer outer_scf_control_types::qs_outer_scf_type::variables

Definition at line 84 of file outer_scf_control_types.F.

gradient

real(kind=dp), dimension(:, :), pointer outer_scf_control_types::qs_outer_scf_type::gradient

Definition at line 85 of file outer_scf_control_types.F.

inv_jacobian

real(kind=dp), dimension(:, :), pointer outer_scf_control_types::qs_outer_scf_type::inv_jacobian

Definition at line 86 of file outer_scf_control_types.F.

count

integer, dimension(:), pointer outer_scf_control_types::qs_outer_scf_type::count

Definition at line 87 of file outer_scf_control_types.F.

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The documentation for this type was generated from the following file:

• outer_scf_control_types.F