httk.atomistic.atomisticio.structure_cif_io module
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httk.atomistic.atomisticio.structure_cif_io.
cif_reader_httk_preprocessed
(ioa)[source]
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httk.atomistic.atomisticio.structure_cif_io.
cif_reader_that_can_only_read_isotropy_cif
(ioa)[source]
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httk.atomistic.atomisticio.structure_cif_io.
cif_to_struct
(ioa, backends=['internal', 'cif2cell', 'ase', 'platon'])[source]
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httk.atomistic.atomisticio.structure_cif_io.
cifdata_to_struct
(cifdata, debug=False)[source]
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httk.atomistic.atomisticio.structure_cif_io.
struct_to_cif
(struct, ioa, backends=['httk'])[source]
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httk.atomistic.atomisticio.structure_cif_io.
struct_to_cif_httk_simplified
(struct, ioa, header=None, symops=True)[source]
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httk.atomistic.atomisticio.structure_cif_io.
struct_to_cifdata
(struct, entryid=None)[source]