Getting Started
Calculations
Workflows
Additional
aiida_crystal17
aiida_crystal17.calcfunctions
aiida_crystal17.calcfunctions.band_gap
aiida_crystal17.calculations
aiida_crystal17.calculations.cry_abstract
aiida_crystal17.calculations.cry_basic
aiida_crystal17.calculations.cry_main
aiida_crystal17.calculations.prop_abstract
aiida_crystal17.calculations.prop_doss
aiida_crystal17.calculations.prop_ech3
aiida_crystal17.calculations.prop_newk
aiida_crystal17.calculations.prop_ppan
aiida_crystal17.cmndline
aiida_crystal17.cmndline.basis_set
aiida_crystal17.cmndline.cmd_parser
aiida_crystal17.cmndline.options
aiida_crystal17.cmndline.symmetry
aiida_crystal17.common
aiida_crystal17.common.atoms
aiida_crystal17.common.dict_funcs
aiida_crystal17.common.kpoints
aiida_crystal17.common.mapping
aiida_crystal17.common.parsing
aiida_crystal17.data
aiida_crystal17.data.basis_set
aiida_crystal17.data.gcube
aiida_crystal17.data.input_params
aiida_crystal17.data.kinds
aiida_crystal17.data.symmetry
aiida_crystal17.immigration
aiida_crystal17.immigration.create_calcjob
aiida_crystal17.immigration.create_inputs
aiida_crystal17.parsers
aiida_crystal17.parsers.cry_doss
aiida_crystal17.parsers.cry_ech3
aiida_crystal17.parsers.cry_main
aiida_crystal17.parsers.cry_newk
aiida_crystal17.parsers.cry_ppan
aiida_crystal17.parsers.raw
aiida_crystal17.parsers.raw.crystal_fort25
aiida_crystal17.parsers.raw.crystal_fort9
aiida_crystal17.parsers.raw.crystal_ppan
aiida_crystal17.parsers.raw.crystal_stdout
aiida_crystal17.parsers.raw.doss_input
aiida_crystal17.parsers.raw.gaussian_cube
aiida_crystal17.parsers.raw.inputd12_read
aiida_crystal17.parsers.raw.inputd12_write
aiida_crystal17.parsers.raw.main_out
aiida_crystal17.parsers.raw.parse_bases
aiida_crystal17.parsers.raw.parse_fort34
aiida_crystal17.parsers.raw.pbs
aiida_crystal17.parsers.raw.prop_inputs
aiida_crystal17.parsers.raw.properties_stdout
aiida_crystal17.parsers.raw.vesta
aiida_crystal17.symmetry
aiida_crystal17.symmetry.symmetry
aiida_crystal17.tests
aiida_crystal17.tests.mock_crystal17
aiida_crystal17.tests.mock_properties17
aiida_crystal17.tests.resources
aiida_crystal17.tests.utils
aiida_crystal17.validation
aiida_crystal17.validation.schemas
aiida_crystal17.validation.utils
aiida_crystal17.workflows
aiida_crystal17.workflows.crystal_main
aiida_crystal17.workflows.crystal_main.base
aiida_crystal17.workflows.crystal_props
aiida_crystal17.workflows.crystal_props.base
aiida_crystal17.workflows.symmetrise_3d_struct