Recherche

Miller index. d corresponds to the dimension of the symmetry group. imag int 0: nuclear, 1: magnetic, 2: both. mult int Multiplicity. pcoeff int Pointer to the harmonic q_coeff. s float Sin(theta) / lambda

: str , error message. r[2] : 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

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the unit cell, a dictionary of type cell_g _type or cell_gls_type . If optional arguments sd_abc

ikeda_carpenter returns the value of the Ikeda-Carpenter function: f = 0.5 * (alpha**3)*((1-R)*(x**2)*exp(-alpha*x)+2*R*beta*(1/alpha**3)*(exp(-beta*x)-exp(-alpha*x)*(1+(1+0.5*x*alpha**3)*x*alpha**3))) function ... function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function ...

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

PyCrysFML08 Functions USE hat returns the value of the hat function: if x <= -w/2 or x >= w/2: f = 0 If x >-w/2 and x < w/2: f = 1 / w function call r = hat ( x : float , w : float ) Variable Type Description ... function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at ...

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

USE lorentzian returns the value of the lorentzian function: f = (1 /pi) * (0.5 * fwhm) / (x**2 + (0.5*fwhm)**2) function call r = lorentzian ( x : float , fwhm : float ) Variable Type Description x float ... function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . ...