casinotools.file_format.casino2.element module

Element data from CASINO v2.

class casinotools.file_format.casino2.element.Element(number_xray_layers=500)

Bases: object

get_atomic_fraction()

get_atomic_number()

get_atomic_weight_g_mol()

get_composition()

get_depth_xray_distribution()

Return the depth x-ray distributions.

Note:

Remove last value, because it is the accumulator for all out of range values.

get_depth_xray_distribution_by_line_type(line, line_type='Emitted')

Return the depth x-ray distributions.

Note:

Remove last value, because it is the accumulator for all out of range values.

get_depth_xray_distribution_layer(z0_nm, z1_nm)

Return the depth x-ray distributions.

Note:

Remove last value, because it is the accumulator for all out of range values.

get_depth_xray_distribution_layer_by_line_type(z0_nm, z1_nm, line, line_type='Emitted')

Return the depth x-ray distributions.

Note:

Remove last value, because it is the accumulator for all out of range values.

get_mass_density_g_cm3()

get_radial_xray_distribution()

Return the radial x-ray distributions.

Note:

Remove last value, because it is the accumulator for all out of range values.

get_repetition()

get_symbol()

get_total_xray_intensities()

get_total_xray_intensities_1_esr()

get_total_xray_intensity_by_line_type(line, xray_type='Emitted')

get_weight_fraction()

read(file, number_xray_layers, version)

set_atomic_fraction(atomic_fraction)

set_element(symbol, weight_fraction=1.0, index=0)

set_weight_fraction(weight_fraction)

write(file, number_xray_layers)

casinotools.file_format.casino2.element.compute_j(atomic_number)

casinotools.file_format.casino2.element.compute_k(atomic_number)

casinotools.file_format.casino2.element.get_atom(symbol)

Transcription du symbole atomique.