helpers for many purposes
Module Contents
Functions
find_parent(calc)
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find_pw_parent(parent_calc[, calc_type])
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old_find_parent(calc)
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old_find_pw_parent(parent_calc[, calc_type])
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get_distance_from_kmesh(calc)
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find_pw_type(calc)
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find_table_ind(kpoint, band, _array_ndb)
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update_dict(_dict, whats, hows[, sublevel, pop_list])
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get_caller(calc_pk[, depth])
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get_called(calc_pk[, depth])
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set_parent(inputs, parent)
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take_down([node, what])
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take_super([node, what])
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take_calc_from_remote(parent_folder[, level])
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take_fermi(calc_node_pk)
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take_filled_states(calc_node_pk)
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take_number_kpts(calc_node_pk)
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store_List(a_list)
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store_Dict(a_dict)
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find_pw_info(calc)
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find_gw_info(inputs)
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understand_valence_metal_wise(bands, fermi, index, valence)
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build_list_QPkrange(mapping, quantity, nscf_pk, bands, ...)
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gap_mapping_from_nscf(nscf_pk[, additional_parsing_List])
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check_identical_calculation(YamboWorkflow_inputs, ...)
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check_same_yambo(node, params_to_calc, k_mesh_to_calc, ...)
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check_same_pw(node, k_mesh_to_calc, already_done[, bands])
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search_in_group(YamboWorkflow_inputs, YamboWorkflow_group)
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store_quantity(quantity)
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aiida_yambo.utils.common_helpers.find_parent(calc)[source]
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aiida_yambo.utils.common_helpers.find_pw_parent(parent_calc, calc_type=['scf', 'nscf'])[source]
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aiida_yambo.utils.common_helpers.old_find_parent(calc)[source]
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aiida_yambo.utils.common_helpers.old_find_pw_parent(parent_calc, calc_type=['scf', 'nscf'])[source]
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aiida_yambo.utils.common_helpers.get_distance_from_kmesh(calc)[source]
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aiida_yambo.utils.common_helpers.find_pw_type(calc)[source]
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aiida_yambo.utils.common_helpers.find_table_ind(kpoint, band, _array_ndb)[source]
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aiida_yambo.utils.common_helpers.update_dict(_dict, whats, hows, sublevel=None, pop_list=[])[source]
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aiida_yambo.utils.common_helpers.get_caller(calc_pk, depth=1)[source]
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aiida_yambo.utils.common_helpers.get_called(calc_pk, depth=2)[source]
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aiida_yambo.utils.common_helpers.set_parent(inputs, parent)[source]
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aiida_yambo.utils.common_helpers.take_down(node=0, what='CalcJobNode')[source]
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aiida_yambo.utils.common_helpers.take_super(node=0, what='WorkChainNode')[source]
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aiida_yambo.utils.common_helpers.take_calc_from_remote(parent_folder, level=0)[source]
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aiida_yambo.utils.common_helpers.take_fermi(calc_node_pk)[source]
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aiida_yambo.utils.common_helpers.take_filled_states(calc_node_pk)[source]
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aiida_yambo.utils.common_helpers.take_number_kpts(calc_node_pk)[source]
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aiida_yambo.utils.common_helpers.store_List(a_list)[source]
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aiida_yambo.utils.common_helpers.store_Dict(a_dict)[source]
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aiida_yambo.utils.common_helpers.find_pw_info(calc)[source]
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aiida_yambo.utils.common_helpers.find_gw_info(inputs)[source]
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aiida_yambo.utils.common_helpers.understand_valence_metal_wise(bands, fermi, index, valence)[source]
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aiida_yambo.utils.common_helpers.build_list_QPkrange(mapping, quantity, nscf_pk, bands, fermi, valence)[source]
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aiida_yambo.utils.common_helpers.gap_mapping_from_nscf(nscf_pk, additional_parsing_List=[])[source]
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aiida_yambo.utils.common_helpers.check_identical_calculation(YamboWorkflow_inputs, YamboWorkflow_list, what=['BndsRnXp', 'GbndRnge', 'NGsBlkXp'], full=True, exclude=['CPU', 'ROLEs', 'QPkrange'])[source]
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aiida_yambo.utils.common_helpers.check_same_yambo(node, params_to_calc, k_mesh_to_calc, what, up_to_p2y=False, full=True, additional=[], bands=None)[source]
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aiida_yambo.utils.common_helpers.check_same_pw(node, k_mesh_to_calc, already_done, bands=None)[source]
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aiida_yambo.utils.common_helpers.search_in_group(YamboWorkflow_inputs, YamboWorkflow_group, what=['BndsRnXp', 'GbndRnge', 'NGsBlkXp'], full=True, exclude=[], up_to_p2y=False, bands=None)[source]
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aiida_yambo.utils.common_helpers.store_quantity(quantity)[source]
