class Jastrowcopy_workflow

This class manages the workflow of copying Jastrow parameters to wavefunction file.

Module usage

from turboworkflows.workflow_collection import Jastrowcopy_workflow

Constructor arguments

jastrowcopy parameters

argument	type	default value	description
jastrowcopy_rerun	bool	False	if True, force rerun even if pickle file exists.
jastrowcopy_pkl_name	str	jastrowcopy_genius	name of the pickle file to store workflow state.
jastrowcopy_fort10_to	str	fort.10	target fort.10 file to copy Jastrow factors to.
jastrowcopy_fort10_from	str	fort.10_new	source fort.10 file to copy Jastrow factors from.
jastrowcopy_twist_average	bool	False	if True, perform twist-averaged Jastrow copying.

Description

In the Jastrowcopy_workflow class, the Jastrow copy workflow is executed asynchronously (via async_launch()). The workflow copies Jastrow factors from one fort.10 file to another (no job submission; runs locally).

If the pkl file already exists and jastrowcopy_rerun is False, the operation is skipped. Otherwise, the workflow:

• Calls turbogenius.tools_genius.copy_jastrow() with jastrowcopy_fort10_to, jastrowcopy_fort10_from, and jastrowcopy_twist_average to copy Jastrow factors in place.

• Persists state in a pkl file under the pkl directory.

On success, the method returns (status, list of output file paths under the root directory, and an empty output-values dict).

See also

• turbogenius.tools_genius.copy_jastrow() — Jastrow copy routine.