mqc_config_parser_structure Submodule


Uses

  • module~~mqc_config_parser_structure~~UsesGraph module~mqc_config_parser_structure mqc_config_parser_structure module~mqc_config_parser mqc_config_parser module~mqc_config_parser_structure->module~mqc_config_parser module~mqc_calc_types mqc_calc_types module~mqc_config_parser->module~mqc_calc_types module~mqc_calculation_defaults mqc_calculation_defaults module~mqc_config_parser->module~mqc_calculation_defaults module~mqc_error mqc_error module~mqc_config_parser->module~mqc_error module~mqc_geometry mqc_geometry module~mqc_config_parser->module~mqc_geometry module~mqc_method_types mqc_method_types module~mqc_config_parser->module~mqc_method_types module~mqc_physical_fragment mqc_physical_fragment module~mqc_config_parser->module~mqc_physical_fragment pic_types pic_types module~mqc_config_parser->pic_types module~mqc_calc_types->pic_types module~mqc_calculation_defaults->pic_types module~mqc_geometry->pic_types module~mqc_method_types->pic_types module~mqc_physical_fragment->module~mqc_error module~mqc_physical_fragment->module~mqc_geometry module~mqc_physical_fragment->pic_types module~mqc_cgto mqc_cgto module~mqc_physical_fragment->module~mqc_cgto module~mqc_elements mqc_elements module~mqc_physical_fragment->module~mqc_elements module~mqc_physical_constants mqc_physical_constants module~mqc_physical_fragment->module~mqc_physical_constants module~mqc_xyz_reader mqc_xyz_reader module~mqc_physical_fragment->module~mqc_xyz_reader module~mqc_cgto->pic_types module~mqc_elements->pic_types pic_ascii pic_ascii module~mqc_elements->pic_ascii module~mqc_physical_constants->pic_types module~mqc_xyz_reader->module~mqc_error module~mqc_xyz_reader->module~mqc_geometry module~mqc_xyz_reader->pic_types

Module Subroutines

module subroutine parse_geometry_generic(unit, geom, error)

Generic parser for %geometry section (works for both config and molecule)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: unit
type(geometry_type), intent(inout) :: geom
type(error_t), intent(out) :: error

module subroutine parse_geometry_section(unit, config, error)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: unit
type(mqc_config_t), intent(inout) :: config
type(error_t), intent(out) :: error

module subroutine parse_structure_generic(unit, charge, multiplicity, error)

Generic parser for %structure section (works for both config and molecule)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: unit
integer, intent(inout) :: charge
integer, intent(inout) :: multiplicity
type(error_t), intent(out) :: error

module subroutine parse_structure_section(unit, config, error)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: unit
type(mqc_config_t), intent(inout) :: config
type(error_t), intent(out) :: error