|
tblite
Light-weight tight-binding framework
|
Public Member Functions | |
| procedure | list (self, datasets, error) |
| List logical datasets stored in the HDF5 file. | |
| procedure | get_shape (self, dataset, shape, error) |
| Get the shape of a logical dataset. | |
| procedure | load_i4_r1 (self, dataset, data, error) |
| Load an integer rank-1 dataset. | |
| procedure | load_rdp_r1 (self, dataset, data, error) |
| Load a real rank-1 dataset. | |
| procedure | load_rdp_r2 (self, dataset, data, error) |
| Load a real rank-2 dataset. | |
| procedure | load_rdp_r3 (self, dataset, data, error) |
| Load a real rank-3 dataset. | |
| procedure | save_i4_r1 (self, dataset, data, error) |
| Save an integer rank-1 dataset. | |
| procedure | save_rdp_r1 (self, dataset, data, error) |
| Save a real rank-1 dataset. | |
| procedure | save_rdp_r2 (self, dataset, data, error) |
| Save a real rank-2 dataset. | |
| procedure | save_rdp_r3 (self, dataset, data, error) |
| Save a real rank-3 dataset. | |
Public Member Functions inherited from tblite_io_data_type::iodata_type | |
| procedure(list), deferred | list (self, datasets, error) |
| List logical dataset names available in the file. | |
| procedure(get_shape), deferred | get_shape (self, dataset, shape, error) |
| Query the rank and extent of a named dataset. | |
| generic | load (self, dataset, data, error) |
| Load a named dataset. | |
| generic | load (self, dataset, data, error) |
| Load a named dataset. | |
| generic | load (self, dataset, data, error) |
| Load a named dataset. | |
| generic | load load_rdp_r3 |
| Load a named dataset. | |
| procedure(load_i4_r1), deferred | load_i4_r1 (self, dataset, data, error) |
| Load a named integer rank-1 dataset. | |
| procedure(load_rdp_r1), deferred | load_rdp_r1 (self, dataset, data, error) |
| Load a named real rank-1 dataset. | |
| procedure(load_rdp_r2), deferred | load_rdp_r2 (self, dataset, data, error) |
| Load a named real rank-2 dataset. | |
| procedure(load_rdp_r3), deferred | load_rdp_r3 save_i4_r1, save_rdp_r1, save_rdp_r2, save_rdp_r3 |
| Load a named real rank-3 dataset. | |
| procedure(save_i4_r1), deferred | save_i4_r1 (self, dataset, data, error) |
| Save a named dataset. | |
| procedure(save_rdp_r1), deferred | save_rdp_r1 (self, dataset, data, error) |
| Save a named real rank-1 dataset. | |
| procedure(save_rdp_r2), deferred | save_rdp_r2 (self, dataset, data, error) |
| Save a named real rank-2 dataset. | |
| procedure(save_rdp_r3), deferred | save_rdp_r3 (self, dataset, data, error) |
| Save a named real rank-3 dataset. | |
Data Fields | |
| character(len=:), allocatable | filename |
| HDF5 file name handled by this backend. | |
| procedure tblite_io_data_hdf5::hdf5_data::get_shape | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| integer, dimension(:), intent(out), allocatable | shape, | ||
| type(error_type), intent(out), allocatable | error ) |
Get the shape of a logical dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [out] | shape | Dataset shape |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::list | ( | class(hdf5_data), intent(in) | self, |
| type(iodata_record), dimension(:), intent(out), allocatable | datasets, | ||
| type(error_type), intent(out), allocatable | error ) |
List logical datasets stored in the HDF5 file.
| [in] | self | HDF5 backend instance |
| [out] | datasets | Logical dataset records found in the file |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::load_i4_r1 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| integer(i4), dimension(:), intent(out), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Load an integer rank-1 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [out] | data | Data loaded from the dataset |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::load_rdp_r1 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:), intent(out), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Load a real rank-1 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [out] | data | Data loaded from the dataset |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::load_rdp_r2 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:,:), intent(out), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Load a real rank-2 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [out] | data | Data loaded from the dataset |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::load_rdp_r3 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:,:,:), intent(out), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Load a real rank-3 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [out] | data | Data loaded from the dataset |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::save_i4_r1 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| integer(i4), dimension(:), intent(in), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Save an integer rank-1 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [in] | data | Data to save |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::save_rdp_r1 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:), intent(in), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Save a real rank-1 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [in] | data | Data to save |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::save_rdp_r2 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:,:), intent(in), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Save a real rank-2 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [in] | data | Data to save |
| [out] | error | Error handling |
| procedure tblite_io_data_hdf5::hdf5_data::save_rdp_r3 | ( | class(hdf5_data), intent(in) | self, |
| character(len=*), intent(in) | dataset, | ||
| real(dp), dimension(:,:,:), intent(in), allocatable | data, | ||
| type(error_type), intent(out), allocatable | error ) |
Save a real rank-3 dataset.
| [in] | self | HDF5 backend instance |
| [in] | dataset | Logical dataset name |
| [in] | data | Data to save |
| [out] | error | Error handling |