casinotools.file_format.casino2.generate_sim_file module¶

Description

class casinotools.file_format.casino2.generate_sim_file.GenerateSimFile(template_filepath)[source]¶

Bases: object

_add_element(symbol, weight_fraction=1.0)[source]¶

static _extract_option_simulation_data(filepath)[source]¶

_remove_all_elements()[source]¶

add_elements(symbols, weight_fractions=None)[source]¶

get_option_simulation_data()[source]¶

save(filepath)[source]¶

set_beam_angle_deg(beam_angle_deg)[source]¶

set_direction_cosines(direction_cosines_model)[source]¶

set_electron_elastic_cross_section(cross_section_model)[source]¶

set_incident_energy_keV(energy_keV)[source]¶

set_ionization_cross_section(cross_section_model)[source]¶

set_ionization_potential(model)[source]¶

set_number_electrons(number_electrons)[source]¶

set_toa_deg(toa_deg)[source]¶