Classes for calcs e wfls analysis.
Module Contents
Functions
set_parallelism(instructions_, inputs, k_quantity)
|
|
calc_manager_aiida_yambo([calc_info, wfl_settings])
|
|
updater(calc_dict, inp_to_update, parameters, ...[, ratio])
|
|
take_quantities(calc_dict, workflow_dict[, steps, ...])
|
|
start_from_converged(inputs, node_uuid[, mesh])
|
|
Attributes
-
aiida_yambo.workflows.utils.helpers_aiida_yambo._has_netcdf = False[source]
-
aiida_yambo.workflows.utils.helpers_aiida_yambo.set_parallelism(instructions_, inputs, k_quantity)[source]
-
aiida_yambo.workflows.utils.helpers_aiida_yambo.calc_manager_aiida_yambo(calc_info={}, wfl_settings={})[source]
-
aiida_yambo.workflows.utils.helpers_aiida_yambo.updater(calc_dict, inp_to_update, parameters, workflow_dict, internal_iteration, ratio=False)[source]
-
aiida_yambo.workflows.utils.helpers_aiida_yambo.take_quantities(calc_dict, workflow_dict, steps=1, what=['gap_eV'], backtrace=1)[source]
-
aiida_yambo.workflows.utils.helpers_aiida_yambo.start_from_converged(inputs, node_uuid, mesh=False)[source]
