# {py:mod}`airsspy.jf.runners`

```{py:module} airsspy.jf.runners
```

```{autodoc2-docstring} airsspy.jf.runners
:allowtitles:
```

## Module Contents

### Classes

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`AirssCastepSinglePointRunner <airsspy.jf.runners.AirssCastepSinglePointRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner
    :summary:
    ```
* - {py:obj}`AirssCastepRelaxRunner <airsspy.jf.runners.AirssCastepRelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssCastepRelaxRunner
    :summary:
    ```
* - {py:obj}`AirssScriptRelaxRunner <airsspy.jf.runners.AirssScriptRelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssScriptRelaxRunner
    :summary:
    ```
* - {py:obj}`AirssGulpRelaxRunner <airsspy.jf.runners.AirssGulpRelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssGulpRelaxRunner
    :summary:
    ```
* - {py:obj}`AirssPp3RelaxRunner <airsspy.jf.runners.AirssPp3RelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssPp3RelaxRunner
    :summary:
    ```
* - {py:obj}`AirssVaspRelaxRunner <airsspy.jf.runners.AirssVaspRelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner
    :summary:
    ```
* - {py:obj}`AirssVaspSinglePointRunner <airsspy.jf.runners.AirssVaspSinglePointRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssVaspSinglePointRunner
    :summary:
    ```
* - {py:obj}`AirssAbacusRelaxRunner <airsspy.jf.runners.AirssAbacusRelaxRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner
    :summary:
    ```
* - {py:obj}`AirssAbacusSinglePointRunner <airsspy.jf.runners.AirssAbacusSinglePointRunner>`
  - ```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner
    :summary:
    ```
````

### Functions

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`clean_files <airsspy.jf.runners.clean_files>`
  - ```{autodoc2-docstring} airsspy.jf.runners.clean_files
    :summary:
    ```
* - {py:obj}`run_buildcell <airsspy.jf.runners.run_buildcell>`
  - ```{autodoc2-docstring} airsspy.jf.runners.run_buildcell
    :summary:
    ```
* - {py:obj}`compose_task_doc <airsspy.jf.runners.compose_task_doc>`
  - ```{autodoc2-docstring} airsspy.jf.runners.compose_task_doc
    :summary:
    ```
````

### Data

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`logger <airsspy.jf.runners.logger>`
  - ```{autodoc2-docstring} airsspy.jf.runners.logger
    :summary:
    ```
````

### API

````{py:data} logger
:canonical: airsspy.jf.runners.logger
:value: >
   'getLogger(...)'

```{autodoc2-docstring} airsspy.jf.runners.logger
```

````

````{py:function} clean_files(struct_name: str, extensions: list[str], extra_paths: list[str] | None = None) -> None
:canonical: airsspy.jf.runners.clean_files

```{autodoc2-docstring} airsspy.jf.runners.clean_files
```
````

````{py:function} run_buildcell(seed_name: str, seed_content: str, build_timeout: int = 30, write_seed: bool = True, seed_text_transform=None, max_attempts: int = 3) -> typing.Optional[dict[str, str]]
:canonical: airsspy.jf.runners.run_buildcell

```{autodoc2-docstring} airsspy.jf.runners.run_buildcell
```
````

`````{py:class} AirssCastepSinglePointRunner(executable: str = 'castep.mpi')
:canonical: airsspy.jf.runners.AirssCastepSinglePointRunner

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner.__init__
```

````{py:method} clean_failed(struct_name: str) -> None
:canonical: airsspy.jf.runners.AirssCastepSinglePointRunner.clean_failed

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner.clean_failed
```

````

````{py:method} prepare_inputs(struct_name: str, cellinput, paraminput) -> None
:canonical: airsspy.jf.runners.AirssCastepSinglePointRunner.prepare_inputs

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner.prepare_inputs
```

````

````{py:method} run(struct_name: str, cellinput, paraminput) -> int
:canonical: airsspy.jf.runners.AirssCastepSinglePointRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepSinglePointRunner.run
```

````

`````

`````{py:class} AirssCastepRelaxRunner(executable: str = 'castep.mpi', max_fails: int = 2, max_iterations: int = 200)
:canonical: airsspy.jf.runners.AirssCastepRelaxRunner

Bases: {py:obj}`airsspy.jf.runners.AirssCastepSinglePointRunner`

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepRelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepRelaxRunner.__init__
```

````{py:method} run(struct_name: str, cellinput, paraminput) -> int
:canonical: airsspy.jf.runners.AirssCastepRelaxRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssCastepRelaxRunner.run
```

````

`````

````{py:function} compose_task_doc(struct_name: str) -> dict
:canonical: airsspy.jf.runners.compose_task_doc

```{autodoc2-docstring} airsspy.jf.runners.compose_task_doc
```
````

`````{py:class} AirssScriptRelaxRunner(executable: str = 'gulp', timeout: int = 600, max_attempts: int = 3)
:canonical: airsspy.jf.runners.AirssScriptRelaxRunner

```{autodoc2-docstring} airsspy.jf.runners.AirssScriptRelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssScriptRelaxRunner.__init__
```

````{py:method} clean_failed(struct_name: str) -> None
:canonical: airsspy.jf.runners.AirssScriptRelaxRunner.clean_failed

```{autodoc2-docstring} airsspy.jf.runners.AirssScriptRelaxRunner.clean_failed
```

````

````{py:method} run(struct_name: str, struct_content: str, param_content: str, seed_name: typing.Optional[str] = None) -> int
:canonical: airsspy.jf.runners.AirssScriptRelaxRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssScriptRelaxRunner.run
```

````

`````

````{py:class} AirssGulpRelaxRunner(executable: str = 'ggulp', timeout: int = 600, max_attempts: int = 3, cluster: bool = False, pressure: float = 0.0)
:canonical: airsspy.jf.runners.AirssGulpRelaxRunner

Bases: {py:obj}`airsspy.jf.runners.AirssScriptRelaxRunner`

```{autodoc2-docstring} airsspy.jf.runners.AirssGulpRelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssGulpRelaxRunner.__init__
```

````

````{py:class} AirssPp3RelaxRunner(executable: str = 'pp3', timeout: int = 600, max_attempts: int = 3)
:canonical: airsspy.jf.runners.AirssPp3RelaxRunner

Bases: {py:obj}`airsspy.jf.runners.AirssScriptRelaxRunner`

```{autodoc2-docstring} airsspy.jf.runners.AirssPp3RelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssPp3RelaxRunner.__init__
```

````

`````{py:class} AirssVaspRelaxRunner(executable: str = 'vasp_std', pressure: float = 0.0, potcar_dir: str | None = None, potcar_map: dict[str, str] | None = None, max_fails: int = 2, max_iterations: int = 200)
:canonical: airsspy.jf.runners.AirssVaspRelaxRunner

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner.__init__
```

````{py:method} clean_failed(struct_name: str) -> None
:canonical: airsspy.jf.runners.AirssVaspRelaxRunner.clean_failed

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner.clean_failed
```

````

````{py:method} prepare_inputs(struct_name: str, cell_content: str, incar_content: str, kpoints_path: str | pathlib.Path | None = None) -> dict
:canonical: airsspy.jf.runners.AirssVaspRelaxRunner.prepare_inputs

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner.prepare_inputs
```

````

````{py:method} run(struct_name: str, cell_content: str, incar_content: str, kpoints_path: str | pathlib.Path | None = None) -> int
:canonical: airsspy.jf.runners.AirssVaspRelaxRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspRelaxRunner.run
```

````

`````

`````{py:class} AirssVaspSinglePointRunner(executable: str = 'vasp_std', pressure: float = 0.0, potcar_dir: str | None = None, potcar_map: dict[str, str] | None = None, max_fails: int = 2, max_iterations: int = 200)
:canonical: airsspy.jf.runners.AirssVaspSinglePointRunner

Bases: {py:obj}`airsspy.jf.runners.AirssVaspRelaxRunner`

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspSinglePointRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspSinglePointRunner.__init__
```

````{py:method} prepare_inputs(struct_name: str, cell_content: str, incar_content: str, kpoints_path: str | pathlib.Path | None = None) -> dict
:canonical: airsspy.jf.runners.AirssVaspSinglePointRunner.prepare_inputs

````

````{py:method} run(struct_name: str, cell_content: str, incar_content: str, kpoints_path: str | pathlib.Path | None = None) -> int
:canonical: airsspy.jf.runners.AirssVaspSinglePointRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssVaspSinglePointRunner.run
```

````

`````

`````{py:class} AirssAbacusRelaxRunner(executable: str = 'abacus', max_fails: int = 2, max_iterations: int = 200, pressure: float = 0.0)
:canonical: airsspy.jf.runners.AirssAbacusRelaxRunner

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner.__init__
```

````{py:method} clean_failed(struct_name: str) -> None
:canonical: airsspy.jf.runners.AirssAbacusRelaxRunner.clean_failed

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner.clean_failed
```

````

````{py:method} prepare_inputs(struct_name: str, cell_content: str, input_content: str) -> None
:canonical: airsspy.jf.runners.AirssAbacusRelaxRunner.prepare_inputs

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner.prepare_inputs
```

````

````{py:method} run(struct_name: str, cell_content: str, input_content: str) -> int
:canonical: airsspy.jf.runners.AirssAbacusRelaxRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusRelaxRunner.run
```

````

`````

`````{py:class} AirssAbacusSinglePointRunner(executable: str = 'abacus')
:canonical: airsspy.jf.runners.AirssAbacusSinglePointRunner

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner.__init__
```

````{py:method} clean_failed(struct_name: str) -> None
:canonical: airsspy.jf.runners.AirssAbacusSinglePointRunner.clean_failed

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner.clean_failed
```

````

````{py:method} prepare_inputs(struct_name: str, cell_content: str, input_content: str) -> None
:canonical: airsspy.jf.runners.AirssAbacusSinglePointRunner.prepare_inputs

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner.prepare_inputs
```

````

````{py:method} run(struct_name: str, cell_content: str, input_content: str) -> int
:canonical: airsspy.jf.runners.AirssAbacusSinglePointRunner.run

```{autodoc2-docstring} airsspy.jf.runners.AirssAbacusSinglePointRunner.run
```

````

`````