tblite
Light-weight tight-binding framework
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Public Member Functions | |
generic, public | initialize_entry (self, label) |
Initialize a label in the dictionary. | |
generic, public | initialize_entry (self, label, ndim1) |
Initialize a 1D array in the dictionary. | |
generic, public | initialize_entry (self, label, ndim1, ndim2) |
Initialize a 2D array in the dictionary. | |
generic, public | initialize_entry (self, label, ndim1, ndim2, ndim3) |
Initialize a 3D array in the dictionary. | |
procedure | ini_label (self, label) |
Initialize a label in the dictionary. | |
procedure | ini_1d (self, label, ndim1) |
Initialize a 1D array in the dictionary. | |
procedure | ini_2d (self, label, ndim1, ndim2) |
Initialize a 2D array in the dictionary. | |
procedure | ini_3d (self, label, ndim1, ndim2, ndim3) |
Initialize a 3D array in the dictionary. | |
generic, public | add_entry (self, label, array) |
Add a 1D array to the dictionary. | |
generic, public | add_entry (self, label, array) |
Add a 2D array to the dictionary. | |
generic, public | add_entry (self, label, array) |
Add a 3D array to the dictionary. | |
procedure | add_1d (self, label, array) |
Add a 1D array to the dictionary. | |
procedure | add_2d (self, label, array) |
Add a 2D array to the dictionary. | |
procedure | add_3d (self, label, array) |
Add a 3D array to the dictionary. | |
generic, public | get_entry (self, index, array) |
Get a 1D array from the dictionary. | |
generic, public | get_entry (self, index, array) |
Get a 2D array from the dictionary. | |
generic, public | get_entry (self, index, array) |
Get a 3D array from the dictionary. | |
generic, public | get_entry (self, label, array) |
Get a 1D array from the dictionary. | |
generic, public | get_entry (self, label, array) |
Get a 2D array from the dictionary. | |
generic, public | get_entry (self, label, array) |
Get a 3D array from the dictionary. | |
procedure | get_1d_index (self, index, array) |
Get a 1D array from the dictionary. | |
procedure | get_2d_index (self, index, array) |
Get a 2D array from the dictionary. | |
procedure | get_3d_index (self, index, array) |
Get a 3D array from the dictionary. | |
procedure | get_1d_label (self, label, array) |
Get a 1D array from the dictionary. | |
procedure | get_2d_label (self, label, array) |
Get a 2D array from the dictionary. | |
procedure | get_3d_label (self, label, array) |
Get a 3D array from the dictionary. | |
generic, public | update (self, label, array) |
generic, public | update (self, label, array) |
generic, public | update (self, label, array) |
procedure | update_1d (self, label, array) |
procedure | update_2d (self, label, array) |
procedure | update_3d (self, label, array) |
procedure, public | get_label (self, index, label) |
Get the label of a given index. | |
procedure | push (self, label, it) |
Add a new entry to the dictionary. | |
procedure, public | get_n_entries (self) |
generic, public | concatenate (self, dict2) |
procedure | concatenate_overwrite (self, dict2) |
generic, public | assignment (to, from) |
procedure | copy (to, from) |
generic, public | operator (self, dict2) |
procedure | combine_dict (self, dict2) |
generic, public | remove_entry (self, label) |
generic, public | remove_entry (self, index) |
procedure | remove_entry_label (self, label) |
procedure | remove_entry_index (self, index) |
generic, public | get_index (self, label) |
Find the index of a label in the dictionary. | |
procedure | return_label_index (self, label) |
Find the index of a label in the dictionary. | |
procedure | dump_to_file (self, file, error) |
Write double dictionary data to file. | |
generic, public | dump (self, file, error) |
Write double dictionary data to file. | |
generic, public | operator (lhs, rhs) |
Check if two double dictionaries are equal. | |
procedure | equal_dict (lhs, rhs) |
Check if two double dictionaries are equal. | |
generic, public | load (self, filename, error) |
Read double dictionary data from file. | |
procedure | load_from_file (self, filename, error) |
Read double dictionary data from file. | |
Data Fields | |
integer | n = 0 |
type(double_record), dimension(:), allocatable | record |
procedure tblite_double_dictionary::double_dictionary_type::add_1d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:), intent(in) | array ) |
Add a 1D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 1D array to be added |
procedure tblite_double_dictionary::double_dictionary_type::add_2d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:,:), intent(in) | array ) |
Add a 2D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 2D array to be added |
procedure tblite_double_dictionary::double_dictionary_type::add_3d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:, :, :), intent(in) | array ) |
Add a 3D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 3D array to be added |
generic, public tblite_double_dictionary::double_dictionary_type::add_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:), intent(in) | array ) |
Add a 1D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 1D array to be added |
generic, public tblite_double_dictionary::double_dictionary_type::add_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:,:), intent(in) | array ) |
Add a 2D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 2D array to be added |
generic, public tblite_double_dictionary::double_dictionary_type::add_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:, :, :), intent(in) | array ) |
Add a 3D array to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | array | 3D array to be added |
generic, public tblite_double_dictionary::double_dictionary_type::dump | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | file, | ||
type(error_type), intent(out), allocatable | error ) |
Write double dictionary data to file.
[in] | self | Instance of the parametrization data |
[in] | file | File name |
[out] | error | Error handling |
procedure tblite_double_dictionary::double_dictionary_type::dump_to_file | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | file, | ||
type(error_type), intent(out), allocatable | error ) |
Write double dictionary data to file.
[in] | self | Instance of the parametrization data |
[in] | file | File name |
[out] | error | Error handling |
procedure tblite_double_dictionary::double_dictionary_type::equal_dict | ( | class(double_dictionary_type), intent(in) | lhs, |
class(double_dictionary_type), intent(in) | rhs ) |
Check if two double dictionaries are equal.
[in] | lhs | First dictionary to compare |
[in] | rhs | Second dictionary to compare |
procedure tblite_double_dictionary::double_dictionary_type::get_1d_index | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:), intent(out), allocatable | array ) |
Get a 1D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 1D array to be returned |
procedure tblite_double_dictionary::double_dictionary_type::get_1d_label | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:), intent(out), allocatable | array ) |
Get a 1D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 1D array to be returned |
procedure tblite_double_dictionary::double_dictionary_type::get_2d_index | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:,:), intent(out), allocatable | array ) |
Get a 2D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 2D array to be returned |
procedure tblite_double_dictionary::double_dictionary_type::get_2d_label | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:,:), intent(out), allocatable | array ) |
Get a 2D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 2D array to be returned |
procedure tblite_double_dictionary::double_dictionary_type::get_3d_index | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:, :, :), intent(out), allocatable | array ) |
Get a 3D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 3D array to be returned |
procedure tblite_double_dictionary::double_dictionary_type::get_3d_label | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:, :, :), intent(out), allocatable | array ) |
Get a 3D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 3D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:), intent(out), allocatable | array ) |
Get a 1D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 1D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:,:), intent(out), allocatable | array ) |
Get a 2D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 2D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
real(wp), dimension(:, :, :), intent(out), allocatable | array ) |
Get a 3D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the array in the dictionary |
[out] | array | 3D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:), intent(out), allocatable | array ) |
Get a 1D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 1D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:,:), intent(out), allocatable | array ) |
Get a 2D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 2D array to be returned |
generic, public tblite_double_dictionary::double_dictionary_type::get_entry | ( | class(double_dictionary_type), intent(in) | self, |
character(len=*), intent(in) | label, | ||
real(wp), dimension(:, :, :), intent(out), allocatable | array ) |
Get a 3D array from the dictionary.
[in] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | array | 3D array to be returned |
procedure, public tblite_double_dictionary::double_dictionary_type::get_label | ( | class(double_dictionary_type), intent(in) | self, |
integer, intent(in) | index, | ||
character(len=:), intent(out), allocatable | label ) |
Get the label of a given index.
[in] | self | Instance of the double dictionary |
[in] | index | Index of the label in the dictionary |
[out] | label | Label to be returned |
procedure tblite_double_dictionary::double_dictionary_type::ini_1d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1 ) |
Initialize a 1D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 1D array |
procedure tblite_double_dictionary::double_dictionary_type::ini_2d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1, | ||
integer, intent(in) | ndim2 ) |
Initialize a 2D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 2D array |
[in] | ndim2 | Dimensions of the 2D array |
procedure tblite_double_dictionary::double_dictionary_type::ini_3d | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1, | ||
integer, intent(in) | ndim2, | ||
integer, intent(in) | ndim3 ) |
Initialize a 3D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 3D array |
[in] | ndim2 | Dimensions of the 3D array |
[in] | ndim3 | Dimensions of the 3D array |
procedure tblite_double_dictionary::double_dictionary_type::ini_label | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label ) |
Initialize a label in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
generic, public tblite_double_dictionary::double_dictionary_type::initialize_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label ) |
Initialize a label in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
generic, public tblite_double_dictionary::double_dictionary_type::initialize_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1 ) |
Initialize a 1D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 1D array |
generic, public tblite_double_dictionary::double_dictionary_type::initialize_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1, | ||
integer, intent(in) | ndim2 ) |
Initialize a 2D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 2D array |
[in] | ndim2 | Dimensions of the 2D array |
generic, public tblite_double_dictionary::double_dictionary_type::initialize_entry | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(in) | ndim1, | ||
integer, intent(in) | ndim2, | ||
integer, intent(in) | ndim3 ) |
Initialize a 3D array in the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[in] | ndim1 | Dimensions of the 3D array |
[in] | ndim2 | Dimensions of the 3D array |
[in] | ndim3 | Dimensions of the 3D array |
generic, public tblite_double_dictionary::double_dictionary_type::load | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | filename, | ||
type(error_type), intent(out), allocatable | error ) |
Read double dictionary data from file.
[in,out] | self | Instance of the parametrization data |
[in] | filename | File name |
[out] | error | Error handling |
procedure tblite_double_dictionary::double_dictionary_type::load_from_file | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | filename, | ||
type(error_type), intent(out), allocatable | error ) |
Read double dictionary data from file.
[in,out] | self | Instance of the parametrization data |
[in] | filename | File name |
[out] | error | Error handling |
generic, public tblite_double_dictionary::double_dictionary_type::operator | ( | class(double_dictionary_type), intent(in) | lhs, |
class(double_dictionary_type), intent(in) | rhs ) |
Check if two double dictionaries are equal.
[in] | lhs | First dictionary to compare |
[in] | rhs | Second dictionary to compare |
procedure tblite_double_dictionary::double_dictionary_type::push | ( | class(double_dictionary_type), intent(inout) | self, |
character(len=*), intent(in) | label, | ||
integer, intent(out) | it ) |
Add a new entry to the dictionary.
[in,out] | self | Instance of the double dictionary |
[in] | label | Label for the array |
[out] | it | Index of the label in the dictionary |