sim_utils

Functions

acceleration_voltage_to_relativistic_mass(...)	Get relativistic mass of electron as function of acceleration voltage.
acceleration_voltage_to_velocity(...)	Get relativistic velocity of electron from acceleration voltage.
acceleration_voltage_to_wavelength(...)	Get electron wavelength from the acceleration voltage.
beta_to_bst(beam_deflection, ...)	Calculate Bs * t values from beam deflection (beta).
bst_to_beta(bst, acceleration_voltage)	Calculate beam deflection (beta) values from Bs * t.
diffraction_scattering_angle(...)	Get electron scattering angle from a crystal lattice.
et_to_beta(et, acceleration_voltage)	Calculate beam deflection (beta) values from E * t.
get_atomic_scattering_factors(g_hkl_sq, ...)	Calculate atomic scattering factors for n atoms.
get_electron_wavelength(accelerating_voltage)	Calculates the (relativistic) electron wavelength in Angstroms for a given accelerating voltage in kV.
get_holz_angle(electron_wavelength, ...)	Converts electron wavelength and lattice paramater to holz angle :param electron_wavelength: In nanometers :type electron_wavelength: scalar :param lattice_parameter: In nanometers :type lattice_parameter: scalar
get_intensities_params(reciprocal_lattice, ...)	Calculates the variables needed for get_kinematical_intensities
get_interaction_constant(accelerating_voltage)	Calculates the interaction constant, sigma, for a given accelerating voltage.
get_kinematical_intensities(structure, ...)	Calculates peak intensities.
get_points_in_sphere(reciprocal_lattice, ...)	Finds all reciprocal lattice points inside a given reciprocal sphere.
get_scattering_params_dict(scattering_params)	Get scattering parameter dictionary from name.
get_unique_families(hkls)	Returns unique families of Miller indices, which must be permutations of each other.
get_vectorized_list_for_atomic_scattering_factors(...)	Create a flattened array of coeffs, fcoords and occus for vectorized computation of atomic scattering factors.
is_lattice_hexagonal(latt)	Determines if a diffpy lattice is hexagonal or trigonal.
scattering_angle_to_lattice_parameter(...)	Convert scattering angle data to lattice parameter sizes.
simulate_kinematic_scattering(...[, ...])	Simulate electron scattering from arrangement of atoms comprising one elemental species.
tesla_to_am(data)	Convert data from Tesla to A/m
uvtw_to_uvw(uvtw)	Convert 4-index direction to a 3-index direction.