KkrProcess

class ase2sprkkr.outputs.task_result.KkrProcess(input_parameters, calculator, directory)[source]

Class, that run a process and read its output using underlined process reader (see ase2sprkkr.common.process_output_reader.ProcessOutputReader) and return the appropriate TaskResult.

Descendants should define reader_class and result_class property.

Class hierarchy

Inheritance diagram of ase2sprkkr.outputs.task_result.KkrProcess

Constructor

__init__(input_parameters, calculator, directory)[source]
input_parameters

Input parameters, that command to read the output (thus probably the ones, that run the process that produced the output. It is used e.g. for determining the potential file, which belongs to the output.

calculator

Calculator, that can be used for further processing of the results.

directory

Directory, to wich are the relative paths in the output related.

run(cmd, outfile, print_output=False, directory=None, input_file=None, **kwargs)[source]
_wraps(output_file, *args, input_file=None)[source]
read_from_file(output, error=None, return_code=0, print_output=False)[source]