KkrProcessRunner

class ase2sprkkr.outputs.task_result.KkrProcessRunner(input_parameters, calculator, directory, print_output=False, read_callback=None)

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

Constructor

__init__(input_parameters, calculator, directory, print_output=False, read_callback=None)

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.

directory

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

_create_result(output_file, input_file=None)

Create an object that stores results of the KKR output parsing.

_create_process(coroutine, result, callback=None)

Create an object that can run the desired process (either reading from file or running a process)

create_process(cmd, outfile, input_file=None, callback=None, **kwargs)

Create an object that takes care of running the command and parsing the results

read_from_file(output, error=None, return_code=0, input_file=None)

Creates an object that takes care of reading and parsing of the output of a sprkkr process

static class_for_task(task)