mqc_cli_parser – metalquicha

Handles parsing of command line options including geometry files, basis set specifications, and help/usage display. Parsed command line arguments container Main argument parsing routine Display program usage information Standardize basis set names Locate basis set files

Uses

- mqc_basis_utils
- mqc_error
Help

Graph Key

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Derived Types

type, public :: cli_args_type

Container for parsed command line arguments

Components

Type	Visibility	Attributes		Name		Initial
character(len=:),	public,	allocatable	::	basis_name			Basis set name (e.g., “6-31G”)
character(len=:),	public,	allocatable	::	xyz_file			Input XYZ geometry file path

Type-Bound Procedures

procedure, public :: destroy => cli_args_destroy	Memory cleanup

Subroutines

public subroutine parse_command_line(args, error)

Parse command line arguments for geometry file and basis set

Arguments

Type	Intent	Optional	Attributes		Name
type(cli_args_type),	intent(out)			::	args	Parsed argument container
type(error_t),	intent(out)			::	error	Error object

public subroutine print_usage()

Print usage information

Arguments

None

private subroutine cli_args_destroy(this)

Clean up CLI args

Arguments

Type	Intent	Optional	Attributes		Name
class(cli_args_type),	intent(inout)			::	this

mqc_cli_parser Module

Contents

Derived Types

Subroutines

Uses

Derived Types

type, public :: cli_args_type

Components

Type-Bound Procedures

Subroutines

public subroutine parse_command_line(args, error)

Arguments

public subroutine print_usage()

Arguments

private subroutine cli_args_destroy(this)

Arguments