tblite
Light-weight tight-binding framework
Loading...
Searching...
No Matches
Public Member Functions
tblite_param_serde::serde_record Type Referenceabstract

Serializable and deserializable parameter record. More...

Inheritance diagram for tblite_param_serde::serde_record:
tblite_fit_settings::fit_settings tblite_param::param_record tblite_param_charge::charge_record tblite_param_dispersion::dispersion_record tblite_param_element::element_record tblite_param_halogen::halogen_record tblite_param_hamiltonian::hamiltonian_record tblite_param_mask::param_mask tblite_param_molecular_moments::molecular_multipole_record tblite_param_multipole::multipole_record tblite_param_repulsion::repulsion_record tblite_param_thirdorder::thirdorder_record

Public Member Functions

generic load (self, file, error)
 Reading of parametrization data.
 
generic load (self, unit, error)
 Reading of parametrization data.
 
generic load (self, table, error)
 Reading of parametrization data.
 
procedure(load_from_toml), deferred load_from_toml (self, table, error)
 Read parametrization data from TOML data structure.
 
generic dump (self, file, error)
 Writing of parametrization data.
 
generic dump (self, unit, error)
 Writing of parametrization data.
 
generic dump (self, table, error)
 Writing of parametrization data.
 
procedure(dump_to_toml), deferred dump_to_toml (self, table, error)
 Write parametrization data to TOML data structure.
 

Detailed Description

Serializable and deserializable parameter record.

Member Function/Subroutine Documentation

◆ dump() [1/3]

generic tblite_param_serde::serde_record::dump ( class(serde_record), intent(in) self,
character(len=*), intent(in) file,
type(error_type), intent(out), allocatable error )

Writing of parametrization data.

Parameters
[in]selfInstance of the parametrization data
[in]fileFile name
[out]errorError handling

◆ dump() [2/3]

generic tblite_param_serde::serde_record::dump ( class(serde_record), intent(in) self,
type(toml_table), intent(inout) table,
type(error_type), intent(out), allocatable error )

Writing of parametrization data.

Parameters
[in]selfInstance of the parametrization data
[in,out]tableData structure
[out]errorError handling

◆ dump() [3/3]

generic tblite_param_serde::serde_record::dump ( class(serde_record), intent(in) self,
integer, intent(in) unit,
type(error_type), intent(out), allocatable error )

Writing of parametrization data.

Parameters
[in]selfInstance of the parametrization data
[in]unitFormatted unit
[out]errorError handling

◆ dump_to_toml()

procedure(dump_to_toml), deferred tblite_param_serde::serde_record::dump_to_toml ( class(serde_record), intent(in) self,
type(toml_table), intent(inout) table,
type(error_type), intent(out), allocatable error )
pure virtual

Write parametrization data to TOML data structure.

Parameters
[in]selfInstance of the parametrization data
[in,out]tableData structure
[out]errorError handling

◆ load() [1/3]

generic tblite_param_serde::serde_record::load ( class(serde_record), intent(inout) self,
character(len=*), intent(in) file,
type(error_type), intent(out), allocatable error )

Reading of parametrization data.

Parameters
[in,out]selfInstance of the parametrization data
[in]fileFile name
[out]errorError handling

◆ load() [2/3]

generic tblite_param_serde::serde_record::load ( class(serde_record), intent(inout) self,
type(toml_table), intent(inout) table,
type(error_type), intent(out), allocatable error )

Reading of parametrization data.

Parameters
[in,out]selfInstance of the parametrization data
[in,out]tableData structure
[out]errorError handling

◆ load() [3/3]

generic tblite_param_serde::serde_record::load ( class(serde_record), intent(inout) self,
integer, intent(in) unit,
type(error_type), intent(out), allocatable error )

Reading of parametrization data.

Parameters
[in,out]selfInstance of the parametrization data
[in]unitFile name
[out]errorError handling

◆ load_from_toml()

procedure(load_from_toml), deferred tblite_param_serde::serde_record::load_from_toml ( class(serde_record), intent(inout) self,
type(toml_table), intent(inout) table,
type(error_type), intent(out), allocatable error )
pure virtual

Read parametrization data from TOML data structure.

Parameters
[in,out]selfInstance of the parametrization data
[in,out]tableData structure
[out]errorError handling

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