Output converters
writers - Formatting of basis set output
Conversion of basis sets to various formats
- basis_set_exchange.writers.get_format_extension(fmt)
Returns the recommended extension for a given format
- basis_set_exchange.writers.get_writer_formats(function_types=None)
Return information about the basis set formats available for writing
The returned data is a map of format to display name. The format can be passed as the fmt argument to
write_formatted_basis_str()
orwrite_formatted_basis_file()
If a list is specified for function_types, only those formats supporting the given function types will be returned.
- basis_set_exchange.writers.write_formatted_basis_str(basis_dict, fmt, header=None)
Returns the basis set data as a string representing the data in the specified output format