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.