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extension of cell_type . Key Value Description lcell ndarray ; dtype= int32 , shape= 3 Codes for refining a,b,c lang ndarray ; dtype= int32 , shape= 3 Codes for refining alpha,beta,gamma

cell are: in monoclinic lattices, the twofold axes is along b and the final cell is right-handed with a <= c and beta >= 90 degrees. function call r = get_conventional_cell ( twofold : dict , kwargs : dict ... If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the conventional celll, a dictionary of type twofold_axes_type ...

dict , the cell in the new setting, a dictionary of type cell_g_type or cell_gls_type . examples Example 1: Setting change from a string Example 2: Setting change from a matrix in IT convention ... str | ndarray ; dtype = float32 , shape = ( 3,3 ) The setting change. It can be described by a string or by a 3x3 matrix. kwargs dict Optional ...

Dictionaries List of PyCrysFML08 Functions USE get_betas_from_biso returns beta values from B(iso). For a discussion on the different ways of defining the atomic displacement parameters, see http://pd.chem ... cell : dict ) Variable Type Description biso float B_iso parameter cell dict Unit cell. It must be a dictionary of type cell_g_type or ...

Dictionaries List of PyCrysFML08 Functions USE get_betas_from_u returns beta values from U values. For a discussion on the different ways of defining the atomic displacement parameters, see http://pd.chem ... Variable Type Description u ndarray ; dtype= float32 ; shape= 6 U values cell dict Unit cell. It must be a dictionary of type cell_g_type or ...

represents a twofold axes. This dictionary is returned by the function get_twofold_axes . Key Value Description a ndarray ; dtype= float32 , shape= 3 Cartesian components of cell parameter a. b ndarray

es returns the twofold axes of a given cell. function call r = get_twofold_axes ( cell : dict , tol : float ) Variable Type Description cell dict Unit cell. It must be a dictionary of type cell_g_type ... r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , a dictionary of type twofold_axes_type . ...

. Allowed values: "AB" | "BA" | "BC" | "CA". Default: "CA", x // a. sd_abc ndarray ;dtype= float32 , shape= 3 Standard deviations for a,b,c sd_albega ndarray ;dtype= float32 , shape= 3 Standard deviations ... of PyCrysFML08 Dictionaries List of PyCrysFML08 Functions Use set_crystal_cell is used for creating a dictionary of type cell_g_type or ...

Dictionaries List of PyCrysFML08 Functions USE get_u_from_betas returns U values from beta values. For a discussion on the different ways of defining the atomic displacement parameters, see http://pd.chem ... Type Description beta ndarray ; dtype= float32 ; shape= 6 Beta values cell dict Unit cell. It must be a dictionary of type cell_g_type or ...

PyCrysFML08 Dictionaries List of PyCrysFML08 Functions USE get_u_from_b returns U values from B values. For a discussion on the different ways of defining the atomic displacement parameters, see http://pd.chem ... Variable Type Description b ndarray ; dtype= float32 ; shape= 6 B values cell dict Unit cell. It must be a dictionary of type ...