Factory for creating quantum chemistry method instances
Usage: type(method_factory_t) :: factory type(method_config_t) :: config class(qc_method_t), allocatable :: method
config%method_type = METHOD_TYPE_DFT config%basis_set = “cc-pvdz” config%dft%functional = “pbe0” method = factory%create(config)
Create a quantum chemistry method instance from configuration
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| class(method_factory_t), | intent(in) | :: | this | |||
| type(method_config_t), | intent(in) | :: | config |
type :: method_factory_t !! Factory for creating quantum chemistry method instances !! !! Usage: !! type(method_factory_t) :: factory !! type(method_config_t) :: config !! class(qc_method_t), allocatable :: method !! !! config%method_type = METHOD_TYPE_DFT !! config%basis_set = "cc-pvdz" !! config%dft%functional = "pbe0" !! method = factory%create(config) contains procedure :: create => factory_create end type method_factory_t