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two primitive cells. function call r = set_crystal_cell ( cella : dict , cellb : dict , kwargs : dict ) Variable Type Description cella dict Unit cell. Dictionary of type cell_g_type or cell_gls_type . It ... generated with the function set_crystal_cell . cellb dict Unit cell. Dictionary of type cell_g_type or cell_gls_type . It can be generated ...

m_u ( u : ndarray , cell : dict ) 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 cell_gls_type . It can be ... be generated with the function set_crystal_cell . r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error has ...

Cartesian components of cell parameter a. b ndarray ; dtype= float32 , shape= 3 Cartesian components of cell parameter b. c ndarray ; dtype= float32 , shape= 3 Cartesian components of cell parameter c. caxes

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 or cell_gls_type . It can ... can be generated with the function set_crystal_cell . tol float Angular tolerance in degrees. r tuple The tuple returned by the function. r[0] ...

, the unit cell, a dictionary of type cell_g _type or cell_gls_type . If optional arguments sd_abc and / or sd_albega are present, the type returned is cell_gls_type . Otherwise, it is cell_g_type . examples ... List of PyCrysFML08 Functions Use set_crystal_cell is used for creating a dictionary of type cell_g_type or cell_gls_type . function call ...

betas : ndarray , cell : dict ) Variable 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 cell_gls_type . It can ... can be generated with the function set_crystal_cell . r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error ...

dtype= float32 ; shape= 6 B values 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 . r tuple The tuple returned by

space group and a unit cell. function call r = hkl_gen_sxtal ( cell : dict , spg : dict , stlmin : float , stlmax : float , kwargs : dict ) Variable Type Description cell dict Unit cell. It must be a dictionary ... dictionary of type cell_g_type or cell_gls_type . It can be generated with the function set_crystal_cell . spg dict The space group. It ...

of the expected maximum number of reflections up to sintlmax for a volume volcell of the primitive cell. function call r = get_maxnumref ( sintlmax : float , volcell : float , kwargs : dict ) Variable Type ... Type Description sintlmax float Maximum value for sin(theta) / lambda. volcell float Primitive cell volume. kwargs dict Optional arguments. ...

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 . spg dict The space group. It must be a dictionary of type spg_type . It can ... and a unit cell. function call r = h_uni ( cell : dict , spg : dict , friedel : bool , vmin : float , vmax : float , code : str , maxref : ...