Classes for calcs e wfls analysis. hybrid AiiDA and not_AiiDA…hopefully
Module Contents
Functions
check_kpoints_in_qe_grid(qe_grid, point)
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QP_bands(node[, QP_merged, mapping, only_scissor, plot])
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QP_bands_interface(node, mapping[, only_scissor])
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quantumespresso_input_validator(workchain_inputs[, ...])
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add_corrections(workchain_inputs, additional_parsing_List)
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parse_qp_level(calc, level_map)
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parse_qp_gap(calc, gap_map)
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parse_excitons(calc, what)
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additional_parsed(calc, additional_parsing_List, mapping)
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organize_output(output[, node])
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QP_analyzer(pk, QP_db, mapping)
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aiida_yambo.workflows.utils.helpers_yambowf.check_kpoints_in_qe_grid(qe_grid, point)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.QP_bands(node, QP_merged=None, mapping=None, only_scissor=False, plot=False)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.QP_bands_interface(node, mapping, only_scissor=Bool(False))[source]
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aiida_yambo.workflows.utils.helpers_yambowf.quantumespresso_input_validator(workchain_inputs, overrides={'pw': {}})[source]
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aiida_yambo.workflows.utils.helpers_yambowf.add_corrections(workchain_inputs, additional_parsing_List)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.parse_qp_level(calc, level_map)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.parse_qp_gap(calc, gap_map)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.parse_excitons(calc, what)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.additional_parsed(calc, additional_parsing_List, mapping)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.organize_output(output, node=None)[source]
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aiida_yambo.workflows.utils.helpers_yambowf.QP_analyzer(pk, QP_db, mapping)[source]
