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arguments. cell dict Unit cell. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated with the function set_crystal_cell . kwargs dict Optional arguments. Keywords are: nk

vectors. spg dict Space group. It must be a dictionary of type spg_type or superspacegroup_type . It can be generated with the function set_spacegroup . friedel bool If True , Friedel's law is applied. r

vectors. spg dict Space group. It must be a dictionary of type spg_type or superspacegroup_type . It can be generated with the function set_spacegroup . kwargs dict Optional arguments. Keywords are: friedel

vectors. spg dict Space group. It must be a dictionary of type spg_type or superspacegroup_type . It can be generated with the function set_spacegroup . mag bool True if magnetic scattering must be considered

vectors. group dict Space group. It must be a dictionary of type spg_type or superspacegroup_type . It can be generated with the function set_spacegroup . r tuple The tuple returned by the function. r[0] :

cell_g_type or cell_gls_type . It can be generated with the function set_crystal_cell . sett str | ndarray ; dtype = float32 , shape = ( 3,3 ) The setting change. It can be described by a string or by a ... Optional arguments. The keywords for the optional arguments are: matkind . matkind str The input matrix can be given as the S-matrix in ...

PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_gls_type is an extension of cell_g_type . It can be created with function set_ crystal_cell . Key Value Description lcell ndarray ; dtype= int32 , shape=

PyCrysFML08 Functions cell_g_type is an extension of cell_type . It describes the crystal unit cell. It can be created with function set_ crystal_cell . Key Value Description bl_m ndarray ; dtype= float32 ,

a dictionary of type magnetic_domain_type . examples Examples of input files of different formats can be found in the directory Testing/CIFs of the CrysFML08 distribution.

Functions Use set_spacegroup is used to build a crystallographic, Shubnikov or superspace group. It can build the group from its standard symbol or number or directly from a list of generators. It allows